(2S)-N-(2-methylphenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-methylphenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide Openeye Name: (2S)-N-(o-tolyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide CAS Name: (2S)-N-(2-methylphenyl)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: (2S)-N-(2-methylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-N-(o-tolyl)propionamide Formula: C20H31N4O2+ MolecularWeight: 359.48574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](C)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C20H30N4O2/c1-16-7-3-4-8-18(16)21-20(26)17(2)23-13-11-22(12-14-23)15-19(25)24-9-5-6-10-24/h3-4,7-8,17H,5-6,9-15H2,1-2H3,(H,21,26)/p+1/t17-/m0/s1