N-[2-[4-(4-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]pyridine-2-carboxamide

Systemtic Name: N-[2-[4-(4-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]pyridine-2-carboxamide Openeye Name: N-[2-[4-(4-methylbenzoyl)piperazin-1-ium-1-yl]ethyl]pyridine-2-carboxamide CAS Name: N-[2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-2-pyridinecarboxamide IUPAC Name: N-[2-[4-(4-methylbenzoyl)piperazin-1-ium-1-yl]ethyl]pyridine-2-carboxamide Traditional Name: N-[2-(4-p-toluoylpiperazin-1-ium-1-yl)ethyl]picolinamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC=CC=N3

InChI

InChI=1S/C20H24N4O2/c1-16-5-7-17(8-6-16)20(26)24-14-12-23(13-15-24)11-10-22-19(25)18-4-2-3-9-21-18/h2-9H,10-15H2,1H3,(H,22,25)/p+1