4-[5,6-bis(chloranyl)-3-ethyl-2-(2-phenylazanylethenyl)benzimidazol-1-ium-1-yl]butane-2-sulfonic acid

Systemtic Name: 4-[5,6-bis(chloranyl)-3-ethyl-2-(2-phenylazanylethenyl)benzimidazol-1-ium-1-yl]butane-2-sulfonic acid Openeye Name: 4-[2-(2-anilinovinyl)-5,6-dichloro-3-ethyl-benzimidazol-1-ium-1-yl]butane-2-sulfonic acid CAS Name: 4-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethyl-1-benzimidazol-1-iumyl]-2-butanesulfonic acid IUPAC Name: 4-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]butane-2-sulfonic acid Traditional Name: 4-[2-(2-anilinovinyl)-5,6-dichloro-3-ethyl-benzimidazol-1-ium-1-yl]butane-2-sulfonic acid Formula: C21H24Cl2N3O3S+ MolecularWeight: 469.40456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23Cl2N3O3S/c1-3-25-19-13-17(22)18(23)14-20(19)26(12-10-15(2)30(27,28)29)21(25)9-11-24-16-7-5-4-6-8-16/h4-9,11,13-15H,3,10,12H2,1-2H3,(H,27,28,29)/p+1