1,3-dimethyl-2-(phenylmethyl)benzimidazol-3-ium; methyl sulfate

Systemtic Name: 1,3-dimethyl-2-(phenylmethyl)benzimidazol-3-ium; methyl sulfate Openeye Name: 2-benzyl-1,3-dimethyl-benzimidazol-3-ium; methyl sulfate CAS Name: 1,3-dimethyl-2-(phenylmethyl)benzimidazol-3-ium; methyl sulfate IUPAC Name: 2-benzyl-1,3-dimethylbenzimidazol-3-ium; methyl sulfate Traditional Name: 2-benzyl-1,3-dimethyl-benzimidazol-3-ium; methyl sulfate Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2[N+](=C1CC3=CC=CC=C3)C.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2[N+](=C1CC3=CC=CC=C3)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H17N2.CH4O4S/c1-17-14-10-6-7-11-15(14)18(2)16(17)12-13-8-4-3-5-9-13;1-5-6(2,3)4/h3-11H,12H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1