1-methyl-2-phenyl-3-(phenylsulfonylmethyl)benzimidazol-1-ium

Systemtic Name: 1-methyl-2-phenyl-3-(phenylsulfonylmethyl)benzimidazol-1-ium Openeye Name: 1-(benzenesulfonylmethyl)-3-methyl-2-phenyl-benzimidazol-3-ium CAS Name: 1-(benzenesulfonylmethyl)-3-methyl-2-phenylbenzimidazol-3-ium IUPAC Name: 1-(benzenesulfonylmethyl)-3-methyl-2-phenylbenzimidazol-3-ium Traditional Name: 1-(besylmethyl)-3-methyl-2-phenyl-benzimidazol-3-ium Formula: C21H19N2O2S+ MolecularWeight: 363.45276

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N2O2S/c1-22-19-14-8-9-15-20(19)23(21(22)17-10-4-2-5-11-17)16-26(24,25)18-12-6-3-7-13-18/h2-15H,16H2,1H3/q+1