N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methyl]nicotinamide Formula: C23H26N5O+ MolecularWeight: 388.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H25N5O/c1-18-6-2-3-9-21(18)27-12-14-28(15-13-27)22-19(7-5-11-25-22)17-26-23(29)20-8-4-10-24-16-20/h2-11,16H,12-15,17H2,1H3,(H,26,29)/p+1