bis[3-[1-(2-cyclohexylethyl)piperidin-1-ium-1-yl]propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate dibromide

Systemtic Name: bis[3-[1-(2-cyclohexylethyl)piperidin-1-ium-1-yl]propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate dibromide Openeye Name: bis[3-[1-(2-cyclohexylethyl)piperidin-1-ium-1-yl]propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate dibromide CAS Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[3-[1-(2-cyclohexylethyl)-1-piperidin-1-iumyl]propyl] ester dibromide IUPAC Name: bis[3-[1-(2-cyclohexylethyl)piperidin-1-ium-1-yl]propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate dibromide Traditional Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[3-[1-(2-cyclohexylethyl)piperidin-1-ium-1-yl]propyl] ester dibromide Formula: C50H76Br2N2O4 MolecularWeight: 928.95744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC[N+]2(CCCCC2)CCCOC(=O)C3C(C(C3C4=CC=CC=C4)C(=O)OCCC[N+]5(CCCCC5)CCC6CCCCC6)C7=CC=CC=C7.[Br-].[Br-]

Isomeric SMILES

C1CCC(CC1)CC[N+]2(CCCCC2)CCCOC(=O)C3C(C(C3C4=CC=CC=C4)C(=O)OCCC[N+]5(CCCCC5)CCC6CCCCC6)C7=CC=CC=C7.[Br-].[Br-]

InChI

InChI=1S/C50H76N2O4.2BrH/c53-49(55-39-19-35-51(31-15-5-16-32-51)37-29-41-21-7-1-8-22-41)47-45(43-25-11-3-12-26-43)48(46(47)44-27-13-4-14-28-44)50(54)56-40-20-36-52(33-17-6-18-34-52)38-30-42-23-9-2-10-24-42;;/h3-4,11-14,25-28,41-42,45-48H,1-2,5-10,15-24,29-40H2;2*1H/q+2;;/p-2