2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: 2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-[(2S)-3-oxopiperazin-1-ium-2-yl]-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-[(2S)-3-oxo-2-piperazin-1-iumyl]-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-[(2S)-3-oxopiperazin-1-ium-2-yl]-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-[(2S)-3-ketopiperazin-1-ium-2-yl]-N-[2-(phenylthio)phenyl]acetamide Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C([NH2+]1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

C1CNC(=O)[C@@H]([NH2+]1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S/c22-17(12-15-18(23)20-11-10-19-15)21-14-8-4-5-9-16(14)24-13-6-2-1-3-7-13/h1-9,15,19H,10-12H2,(H,20,23)(H,21,22)/p+1/t15-/m0/s1