(2S)-N-(4-methylphenyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-2-piperazin-4-ium-1-yl-N-(p-tolyl)propanamide CAS Name: (2S)-N-(4-methylphenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-2-piperazin-4-ium-1-yl-N-(p-tolyl)propionamide Formula: C14H22N3O+ MolecularWeight: 248.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C14H21N3O/c1-11-3-5-13(6-4-11)16-14(18)12(2)17-9-7-15-8-10-17/h3-6,12,15H,7-10H2,1-2H3,(H,16,18)/p+1/t12-/m0/s1