2-cyclopentyl-1-[4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]ethanone

Systemtic Name: 2-cyclopentyl-1-[4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]ethanone Openeye Name: 2-cyclopentyl-1-[4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]-1-piperidyl]ethanone CAS Name: 2-cyclopentyl-1-[4-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenoxy]-1-piperidinyl]ethanone IUPAC Name: 2-cyclopentyl-1-[4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]ethanone Traditional Name: 2-cyclopentyl-1-[4-[3-[(4-pyridin-1-ium-2-ylpiperazino)methyl]phenoxy]piperidino]ethanone Formula: C28H39N4O2+ MolecularWeight: 463.63486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)N2CCC(CC2)OC3=CC=CC(=C3)CN4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CCC(C1)CC(=O)N2CCC(CC2)OC3=CC=CC(=C3)CN4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C28H38N4O2/c33-28(21-23-6-1-2-7-23)32-14-11-25(12-15-32)34-26-9-5-8-24(20-26)22-30-16-18-31(19-17-30)27-10-3-4-13-29-27/h3-5,8-10,13,20,23,25H,1-2,6-7,11-12,14-19,21-22H2/p+1