C16H20NO
APtclcactv09241716232D 0   0.00000     0.00000
 
 38 39  0  0  0  0  0  0  0  0999 V2000
    8.9282    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.3450    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    0.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -0.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882   -1.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -1.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1995   -0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -1.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -1.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.8081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6810    1.3096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300    0.4879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300   -1.1779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6810   -1.9996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
  1 20  1  0  0  0  0
  3 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  CHG  1  12   1
M  END
> <UNIQUE_SMILES>
CCCCC/C=C/C1=[NH+]C2=C(C=CC=C2)C(=C1)O

> <USER_SUPPLIED_SMILES>
OC1=CC(/C=C/CCCCC)=[N+]([H])C2=C1C=CC=C2

$$$$
