(2S)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)propanamide

Systemtic Name: (2S)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: (2S)-2-(3-oxopiperazin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)propanamide CAS Name: (2S)-2-(3-oxo-1-piperazin-1-iumyl)-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: (2S)-2-(3-oxopiperazin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: (2S)-2-(3-ketopiperazin-1-ium-1-yl)-N-[2-(phenylthio)phenyl]propionamide Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)[NH+]3CCNC(=O)C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)[NH+]3CCNC(=O)C3

InChI

InChI=1S/C19H21N3O2S/c1-14(22-12-11-20-18(23)13-22)19(24)21-16-9-5-6-10-17(16)25-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,20,23)(H,21,24)/p+1/t14-/m0/s1