1-methyl-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-one

Systemtic Name: 1-methyl-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-one Openeye Name: 1-methyl-3-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]benzimidazol-2-one CAS Name: 1-methyl-3-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-benzimidazolone IUPAC Name: 1-methyl-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-one Traditional Name: 1-methyl-3-[(4-tosylpiperazin-1-ium-1-yl)methyl]benzimidazol-2-one Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4N(C3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4N(C3=O)C

InChI

InChI=1S/C20H24N4O3S/c1-16-7-9-17(10-8-16)28(26,27)23-13-11-22(12-14-23)15-24-19-6-4-3-5-18(19)21(2)20(24)25/h3-10H,11-15H2,1-2H3/p+1