Molecule Editor

Molecule ID: FYI-1007483 Edit

Molecule Structure InChIKey: URAPALNYVNODGE-UHFFFAOYSA-P

Molecule Structure SMILES String: C/[NH+]=C(NCCN2CC[NH+](Cc1ccccc1)CC2)/NCc3ccsc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007483
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.0655    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2779    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5526    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3402    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
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  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20  3  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007483-3D
FYIcenter.com

 57 59  0  0  1  0  0  0  0  0999 V2000
    5.3185   -2.8653    0.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3590   -1.9975    1.6272 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0235   -1.9276    1.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061   -2.7129    0.4890 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9388   -2.7077    0.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3340   -3.0342   -3.8592 N   0  3  3  0  0  0  0  0  0  0  0  0
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    2.2776   -1.0702    2.1696 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630   -0.5877    3.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5675    0.5896    3.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5614    0.8756    4.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$