Molecule FYI-1007483

A

Molecule Summary:

ID: FYI-1007483
Names:
InChIKey: URAPALNYVNODGE-UHFFFAOYSA-P
SMILES: C/[NH+]=C(NCCN2CC[NH+](Cc1ccccc1)CC2)/NCc3ccsc3

Received at FYIcenter.com on: 2024-02-24

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
    5.8531    3.7834    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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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   14.3402    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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 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
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 26 57  1  0  0  0  0
M  END
$$$$

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2024-03-07, 1356👍, 0💬