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

Systemtic Name: (2S)-N-(3-methylphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(m-tolyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(3-methylphenyl)-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-methylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-2-(3-ketopiperazin-1-ium-1-yl)-N-(m-tolyl)propionamide Formula: C14H20N3O2+ MolecularWeight: 262.3275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)[NH+]2CCNC(=O)C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)[NH+]2CCNC(=O)C2

InChI

InChI=1S/C14H19N3O2/c1-10-4-3-5-12(8-10)16-14(19)11(2)17-7-6-15-13(18)9-17/h3-5,8,11H,6-7,9H2,1-2H3,(H,15,18)(H,16,19)/p+1/t11-/m0/s1