(2S)-2-(3-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanethioamide

Systemtic Name: (2S)-2-(3-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanethioamide Openeye Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(m-tolyl)thioacetamide CAS Name: (2S)-2-(3-methylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethanethioamide IUPAC Name: (2S)-2-(3-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanethioamide Traditional Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(m-tolyl)thioacetamide Formula: C14H22N3S+ MolecularWeight: 264.40958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C(=S)N)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=CC=C1)[C@@H](C(=S)N)N2CC[NH+](CC2)C

InChI

InChI=1S/C14H21N3S/c1-11-4-3-5-12(10-11)13(14(15)18)17-8-6-16(2)7-9-17/h3-5,10,13H,6-9H2,1-2H3,(H2,15,18)/p+1/t13-/m0/s1