1-(4-methylpiperidin-1-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-methyl-1-piperidyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone CAS Name: 1-(4-methyl-1-piperidinyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]ethanone IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-methylpiperidino)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]ethanone Formula: C16H21N4OS+ MolecularWeight: 317.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4OS/c1-13-7-9-19(10-8-13)15(21)11-22-16-17-12-18-20(16)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3/p+1