(3R)-1-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]piperidine-3-carboxamide CAS Name: (3R)-1-[2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]nipecotamide Formula: C19H29N4O2+ MolecularWeight: 345.45916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCCC(C3)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C19H28N4O2/c1-15-5-2-3-7-17(15)22-11-9-21(10-12-22)14-18(24)23-8-4-6-16(13-23)19(20)25/h2-3,5,7,16H,4,6,8-14H2,1H3,(H2,20,25)/p+1/t16-/m1/s1