N-[1-oxidanylidene-1-(1-phenylpiperazin-1-ium-1-yl)-3-sulfanyl-propan-2-yl]ethanamide

Systemtic Name: N-[1-oxidanylidene-1-(1-phenylpiperazin-1-ium-1-yl)-3-sulfanyl-propan-2-yl]ethanamide Openeye Name: N-[2-oxo-2-(1-phenylpiperazin-1-ium-1-yl)-1-(sulfanylmethyl)ethyl]acetamide CAS Name: N-[3-mercapto-1-oxo-1-(1-phenyl-1-piperazin-1-iumyl)propan-2-yl]acetamide IUPAC Name: N-[1-oxo-1-(1-phenylpiperazin-1-ium-1-yl)-3-sulfanylpropan-2-yl]acetamide Traditional Name: N-[2-keto-1-(mercaptomethyl)-2-(1-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)C(=O)[N+]1(CCNCC1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NC(CS)C(=O)[N+]1(CCNCC1)C2=CC=CC=C2

InChI

InChI=1S/C15H21N3O2S/c1-12(19)17-14(11-21)15(20)18(9-7-16-8-10-18)13-5-3-2-4-6-13/h2-6,14,16H,7-11H2,1H3,(H-,17,19,21)/p+1