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

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanone Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 1-(4-methyl-1-piperidinyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]ethanone IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-1-(4-methylpiperidino)ethanone Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3OS/c1-17-11-13-24(14-12-17)21(26)16-27-22-23-19-9-5-6-10-20(19)25(22)15-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3/p+1