N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]quinoline-5-carboxamide

Systemtic Name: N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]quinoline-5-carboxamide Openeye Name: N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]quinoline-5-carboxamide CAS Name: N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-5-quinolinecarboxamide IUPAC Name: N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]quinoline-5-carboxamide Traditional Name: N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]quinoline-5-carboxamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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