(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethanethioamide

Systemtic Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethanethioamide Openeye Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-thioacetamide CAS Name: (2S)-2-(4-methyl-1-piperazin-4-iumyl)-2-phenylethanethioamide IUPAC Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-phenylethanethioamide Traditional Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-thioacetamide Formula: C13H20N3S+ MolecularWeight: 250.383

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C2=CC=CC=C2)C(=S)N

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H](C2=CC=CC=C2)C(=S)N

InChI

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