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

Systemtic Name: N-[3-[4-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[4-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]phenyl]pyridine-3-carboxamide CAS Name: N-[3-[4-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[4-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[3-[4-(4-o-phenetylpiperazin-1-ium-1-yl)piperidino]phenyl]nicotinamide Formula: C29H36N5O2+ MolecularWeight: 486.62844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C3CCN(CC3)C4=CC(=CC=C4)NC(=O)C5=CN=CC=C5

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)C3CCN(CC3)C4=CC(=CC=C4)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C29H35N5O2/c1-2-36-28-11-4-3-10-27(28)34-19-17-33(18-20-34)25-12-15-32(16-13-25)26-9-5-8-24(21-26)31-29(35)23-7-6-14-30-22-23/h3-11,14,21-22,25H,2,12-13,15-20H2,1H3,(H,31,35)/p+1