1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone Openeye Name: 1-(3,5-dimethyl-1-piperidyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone CAS Name: 1-(3,5-dimethyl-1-piperidinyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]ethanone IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone Traditional Name: 1-(3,5-dimethylpiperidino)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]ethanone Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C17H22N4OS/c1-13-8-14(2)10-20(9-13)16(22)11-23-17-18-12-19-21(17)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3/p+1