1-(3,5-dimethylpiperidin-1-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(3,5-dimethylpiperidin-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-(3,5-dimethyl-1-piperidyl)ethanone CAS Name: 1-(3,5-dimethyl-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-(3,5-dimethylpiperidin-1-yl)ethanone Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-1-(3,5-dimethylpiperidino)ethanone Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H27N3OS/c1-17-12-18(2)14-25(13-17)22(27)16-28-23-24-20-10-6-7-11-21(20)26(23)15-19-8-4-3-5-9-19/h3-11,17-18H,12-16H2,1-2H3/p+1