(2S)-N-(4-methylphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenyl-N-(p-tolyl)acetamide CAS Name: (2S)-N-(4-methylphenyl)-2-(3-oxo-1-piperazin-1-iumyl)-2-phenylacetamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide Traditional Name: (2S)-2-(3-ketopiperazin-1-ium-1-yl)-2-phenyl-N-(p-tolyl)acetamide Formula: C19H22N3O2+ MolecularWeight: 324.39688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCNC(=O)C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCNC(=O)C3

InChI

InChI=1S/C19H21N3O2/c1-14-7-9-16(10-8-14)21-19(24)18(15-5-3-2-4-6-15)22-12-11-20-17(23)13-22/h2-10,18H,11-13H2,1H3,(H,20,23)(H,21,24)/p+1/t18-/m0/s1