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

Systemtic Name: bis[3-[1-(phenylmethyl)piperidin-1-ium-1-yl]propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate dibromide Openeye Name: bis[3-(1-benzylpiperidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate dibromide CAS Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[3-[1-(phenylmethyl)-1-piperidin-1-iumyl]propyl] ester dibromide IUPAC Name: bis[3-(1-benzylpiperidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate dibromide Traditional Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[3-(1-benzylpiperidin-1-ium-1-yl)propyl] ester dibromide Formula: C48H60Br2N2O4 MolecularWeight: 888.809

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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)CC5=CC=CC=C5)C6=CC=CC=C6)CC7=CC=CC=C7.[Br-].[Br-]

Isomeric SMILES

C1CC[N+](CC1)(CCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCC[N+]4(CCCCC4)CC5=CC=CC=C5)C6=CC=CC=C6)CC7=CC=CC=C7.[Br-].[Br-]

InChI

InChI=1S/C48H60N2O4.2BrH/c51-47(53-35-19-33-49(29-15-5-16-30-49)37-39-21-7-1-8-22-39)45-43(41-25-11-3-12-26-41)46(44(45)42-27-13-4-14-28-42)48(52)54-36-20-34-50(31-17-6-18-32-50)38-40-23-9-2-10-24-40;;/h1-4,7-14,21-28,43-46H,5-6,15-20,29-38H2;2*1H/q+2;;/p-2