C15H18NO
APtclcactv09241716232D 0   0.00000     0.00000
 
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    7.1962   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7321   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -1.3450    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    6.6592    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -0.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3335   -0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.3081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8150    1.3096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639    0.4879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639   -1.1779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8150   -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
  4 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  CHG  1  11   1
M  END
> <UNIQUE_SMILES>
CCCC/C=C/C1=[NH+]C2=C(C=CC=C2)C(=C1)O

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

$$$$
