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

Systemtic Name: cyclohexyl-[4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]piperidin-1-yl]methanone Openeye Name: cyclohexyl-[4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]-1-piperidyl]methanone CAS Name: cyclohexyl-[4-[3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]phenoxy]-1-piperidinyl]methanone IUPAC Name: cyclohexyl-[4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]piperidin-1-yl]methanone Traditional Name: cyclohexyl-[4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]piperidino]methanone Formula: C28H40N4O2+2 MolecularWeight: 464.6428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCC(CC2)OC3=CC=CC(=C3)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCC(CC2)OC3=CC=CC(=C3)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C28H38N4O2/c33-28(24-8-2-1-3-9-24)32-15-12-25(13-16-32)34-26-10-6-7-23(21-26)22-30-17-19-31(20-18-30)27-11-4-5-14-29-27/h4-7,10-11,14,21,24-25H,1-3,8-9,12-13,15-20,22H2/p+2