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

Systemtic Name: (2S)-2-(3-methylphenyl)-2-piperazin-4-ium-1-yl-ethanethioamide Openeye Name: (2S)-2-(m-tolyl)-2-piperazin-4-ium-1-yl-thioacetamide CAS Name: (2S)-2-(3-methylphenyl)-2-(1-piperazin-4-iumyl)ethanethioamide IUPAC Name: (2S)-2-(3-methylphenyl)-2-piperazin-4-ium-1-ylethanethioamide Traditional Name: (2S)-2-(m-tolyl)-2-piperazin-4-ium-1-yl-thioacetamide Formula: C13H20N3S+ MolecularWeight: 250.383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C(=S)N)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=CC=C1)[C@@H](C(=S)N)N2CC[NH2+]CC2

InChI

InChI=1S/C13H19N3S/c1-10-3-2-4-11(9-10)12(13(14)17)16-7-5-15-6-8-16/h2-4,9,12,15H,5-8H2,1H3,(H2,14,17)/p+1/t12-/m0/s1