benzenesulfonate; (1,3-dimethylbenzimidazol-3-ium-2-yl)-(4-methoxyphenyl)diazene

Systemtic Name: benzenesulfonate; (1,3-dimethylbenzimidazol-3-ium-2-yl)-(4-methoxyphenyl)diazene Openeye Name: benzenesulfonate; (1,3-dimethylbenzimidazol-3-ium-2-yl)-(4-methoxyphenyl)diazene CAS Name: benzenesulfonate; (1,3-dimethyl-2-benzimidazol-3-iumyl)-(4-methoxyphenyl)diazene IUPAC Name: benzenesulfonate; (1,3-dimethylbenzimidazol-3-ium-2-yl)-(4-methoxyphenyl)diazene Traditional Name: (1,3-dimethylbenzimidazol-3-ium-2-yl)-(4-methoxyphenyl)diazene besylate Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2[N+](=C1N=NC3=CC=C(C=C3)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2[N+](=C1N=NC3=CC=C(C=C3)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C16H17N4O.C6H6O3S/c1-19-14-6-4-5-7-15(14)20(2)16(19)18-17-12-8-10-13(21-3)11-9-12;7-10(8,9)6-4-2-1-3-5-6/h4-11H,1-3H3;1-5H,(H,7,8,9)/q+1;/p-1