(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanethioamide

Systemtic Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanethioamide Openeye Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanethioamide CAS Name: (2S)-2-(4-phenyl-1-piperazin-1-iumyl)propanethioamide IUPAC Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanethioamide Traditional Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)thiopropionamide Formula: C13H20N3S+ MolecularWeight: 250.383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3S/c1-11(13(14)17)15-7-9-16(10-8-15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,14,17)/p+1/t11-/m0/s1