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

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-(4-methylpiperidino)ethanone Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3OS/c1-12-7-9-19(10-8-12)15(20)11-21-16-17-13-5-3-4-6-14(13)18(16)2/h3-6,12H,7-11H2,1-2H3/p+1