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

Systemtic Name: N-[3-[4-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]phenyl]pyridine-4-carboxamide Openeye Name: N-[3-[4-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]phenyl]pyridine-4-carboxamide CAS Name: N-[3-[4-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]phenyl]-4-pyridinecarboxamide IUPAC Name: N-[3-[4-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]phenyl]pyridine-4-carboxamide Traditional Name: N-[3-[4-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]phenyl]isonicotinamide Formula: C28H34N5O+ MolecularWeight: 456.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCN(CC3)C4=CC(=CC=C4)NC(=O)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCN(CC3)C4=CC(=CC=C4)NC(=O)C5=CC=NC=C5

InChI

InChI=1S/C28H33N5O/c1-22-5-2-3-8-27(22)33-19-17-32(18-20-33)25-11-15-31(16-12-25)26-7-4-6-24(21-26)30-28(34)23-9-13-29-14-10-23/h2-10,13-14,21,25H,11-12,15-20H2,1H3,(H,30,34)/p+1