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

Systemtic Name: (2S)-2-(3-chlorophenyl)-2-piperazin-4-ium-1-yl-ethanethioamide Openeye Name: (2S)-2-(3-chlorophenyl)-2-piperazin-4-ium-1-yl-thioacetamide CAS Name: (2S)-2-(3-chlorophenyl)-2-(1-piperazin-4-iumyl)ethanethioamide IUPAC Name: (2S)-2-(3-chlorophenyl)-2-piperazin-4-ium-1-ylethanethioamide Traditional Name: (2S)-2-(3-chlorophenyl)-2-piperazin-4-ium-1-yl-thioacetamide Formula: C12H17ClN3S+ MolecularWeight: 270.80148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C2=CC(=CC=C2)Cl)C(=S)N

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C2=CC(=CC=C2)Cl)C(=S)N

InChI

InChI=1S/C12H16ClN3S/c13-10-3-1-2-9(8-10)11(12(14)17)16-6-4-15-5-7-16/h1-3,8,11,15H,4-7H2,(H2,14,17)/p+1/t11-/m0/s1