N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]quinoline-2-carboxamide

Systemtic Name: N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]quinoline-2-carboxamide Openeye Name: N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]quinoline-2-carboxamide CAS Name: N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-2-quinolinecarboxamide IUPAC Name: N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]quinoline-2-carboxamide Traditional Name: N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]quinaldamide Formula: C23H27N4O+ MolecularWeight: 375.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H26N4O/c1-18-5-4-7-20(17-18)27-15-13-26(14-16-27)12-11-24-23(28)22-10-9-19-6-2-3-8-21(19)25-22/h2-10,17H,11-16H2,1H3,(H,24,28)/p+1