1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-1-ium-4-yl]piperazin-4-ium

Systemtic Name: 1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-1-ium-4-yl]piperazin-4-ium Openeye Name: 1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-1-ium-4-yl]piperazin-4-ium CAS Name: 1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)-4-piperidin-1-iumyl]piperazin-4-ium IUPAC Name: 1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-1-ium-4-yl]piperazin-4-ium Traditional Name: 1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-1-ium-4-yl]piperazin-4-ium Formula: C28H41N3O+2 MolecularWeight: 435.64464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CC[NH+](CC3)C4CCC(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)C3CC[NH+](CC3)C4CCC(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H39N3O/c1-32-28-10-6-5-9-27(28)31-21-19-30(20-22-31)26-15-17-29(18-16-26)25-13-11-24(12-14-25)23-7-3-2-4-8-23/h2-10,24-26H,11-22H2,1H3/p+2