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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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