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

Systemtic Name: 1-methyl-2-phenyl-3-(phenylsulfonylmethyl)benzimidazol-1-ium iodide Openeye Name: 1-(benzenesulfonylmethyl)-3-methyl-2-phenyl-benzimidazol-3-ium iodide CAS Name: 1-(benzenesulfonylmethyl)-3-methyl-2-phenylbenzimidazol-3-ium iodide IUPAC Name: 1-(benzenesulfonylmethyl)-3-methyl-2-phenylbenzimidazol-3-ium iodide Traditional Name: 1-(besylmethyl)-3-methyl-2-phenyl-benzimidazol-3-ium iodide Formula: C21H19IN2O2S MolecularWeight: 490.35723

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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.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C21H19N2O2S.HI/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;1H/q+1;/p-1