3-[5,6-bis(chloranyl)-3-ethyl-2-(2-phenylazanylethenyl)benzimidazol-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[5,6-bis(chloranyl)-3-ethyl-2-(2-phenylazanylethenyl)benzimidazol-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[2-(2-anilinovinyl)-5,6-dichloro-3-ethyl-benzimidazol-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethyl-1-benzimidazol-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[2-(2-anilinovinyl)-5,6-dichloro-3-ethyl-benzimidazol-1-ium-1-yl]propane-1-sulfonate Formula: C20H21Cl2N3O3S MolecularWeight: 454.37004

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2[N+](=C1C=CNC3=CC=CC=C3)CCCS(=O)(=O)[O-])Cl)Cl

Isomeric SMILES

CCN1C2=CC(=C(C=C2[N+](=C1C=CNC3=CC=CC=C3)CCCS(=O)(=O)[O-])Cl)Cl

InChI

InChI=1S/C20H21Cl2N3O3S/c1-2-24-18-13-16(21)17(22)14-19(18)25(11-6-12-29(26,27)28)20(24)9-10-23-15-7-4-3-5-8-15/h3-5,7-10,13-14H,2,6,11-12H2,1H3,(H,26,27,28)