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

Systemtic Name: bis[3-(1-phenacylpiperidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate dibromide Openeye Name: bis[3-(1-phenacylpiperidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate dibromide CAS Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[3-(1-phenacyl-1-piperidin-1-iumyl)propyl] ester dibromide IUPAC Name: bis[3-(1-phenacylpiperidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate dibromide Traditional Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[3-(1-phenacylpiperidin-1-ium-1-yl)propyl] ester dibromide Formula: C50H60Br2N2O6 MolecularWeight: 944.8292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCC[N+]4(CCCCC4)CC(=O)C5=CC=CC=C5)C6=CC=CC=C6)CC(=O)C7=CC=CC=C7.[Br-].[Br-]

Isomeric SMILES

C1CC[N+](CC1)(CCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCC[N+]4(CCCCC4)CC(=O)C5=CC=CC=C5)C6=CC=CC=C6)CC(=O)C7=CC=CC=C7.[Br-].[Br-]

InChI

InChI=1S/C50H60N2O6.2BrH/c53-43(39-21-7-1-8-22-39)37-51(29-15-5-16-30-51)33-19-35-57-49(55)47-45(41-25-11-3-12-26-41)48(46(47)42-27-13-4-14-28-42)50(56)58-36-20-34-52(31-17-6-18-32-52)38-44(54)40-23-9-2-10-24-40;;/h1-4,7-14,21-28,45-48H,5-6,15-20,29-38H2;2*1H/q+2;;/p-2