1-(4-methylpiperidin-1-yl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanone Openeye Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-1-(4-methylpiperidino)ethanone Formula: C21H24N3O3S2+ MolecularWeight: 430.56356

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S2/c1-16-11-13-23(14-12-16)20(25)15-28-21-22-18-9-5-6-10-19(18)24(21)29(26,27)17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3/p+1