2-[1-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]cyclopentyl]-N-(4-phenylmethoxyphenyl)ethanamide

Systemtic Name: 2-[1-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]cyclopentyl]-N-(4-phenylmethoxyphenyl)ethanamide Openeye Name: N-(4-benzyloxyphenyl)-2-[1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide CAS Name: 2-[1-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]cyclopentyl]-N-(4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-[1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]cyclopentyl]-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: N-(4-benzoxyphenyl)-2-[1-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]cyclopentyl]acetamide Formula: C31H37N4O3+ MolecularWeight: 513.65048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CCC(C1)(CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C31H36N4O3/c36-29(33-26-11-13-27(14-12-26)38-24-25-8-2-1-3-9-25)22-31(15-5-6-16-31)23-30(37)35-20-18-34(19-21-35)28-10-4-7-17-32-28/h1-4,7-14,17H,5-6,15-16,18-24H2,(H,33,36)/p+1