2,2-diphenyl-1-[4-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]ethanone

Systemtic Name: 2,2-diphenyl-1-[4-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]ethanone Openeye Name: 2,2-diphenyl-1-[4-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]-1-piperidyl]ethanone CAS Name: 1-[4-[oxo-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]methyl]-1-piperidinyl]-2,2-diphenylethanone IUPAC Name: 2,2-diphenyl-1-[4-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carbonyl]piperidin-1-yl]ethanone Traditional Name: 2,2-diphenyl-1-[4-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]piperidino]ethanone Formula: C31H37N4O2+ MolecularWeight: 497.65108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H36N4O2/c36-30(35-23-21-33(22-24-35)18-13-25-11-16-32-17-12-25)28-14-19-34(20-15-28)31(37)29(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-12,16-17,28-29H,13-15,18-24H2/p+1