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

Systemtic Name: bis[3-(1-prop-2-enylpiperidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate dibromide Openeye Name: bis[3-(1-allylpiperidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate dibromide CAS Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[3-(1-prop-2-enyl-1-piperidin-1-iumyl)propyl] ester dibromide IUPAC Name: bis[3-(1-prop-2-enylpiperidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate dibromide Traditional Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[3-(1-allylpiperidin-1-ium-1-yl)propyl] ester dibromide Formula: C40H56Br2N2O4 MolecularWeight: 788.69164

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1(CCCCC1)CCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCC[N+]4(CCCCC4)CC=C)C5=CC=CC=C5.[Br-].[Br-]

Isomeric SMILES

C=CC[N+]1(CCCCC1)CCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCC[N+]4(CCCCC4)CC=C)C5=CC=CC=C5.[Br-].[Br-]

InChI

InChI=1S/C40H56N2O4.2BrH/c1-3-23-41(25-13-7-14-26-41)29-17-31-45-39(43)37-35(33-19-9-5-10-20-33)38(36(37)34-21-11-6-12-22-34)40(44)46-32-18-30-42(24-4-2)27-15-8-16-28-42;;/h3-6,9-12,19-22,35-38H,1-2,7-8,13-18,23-32H2;2*1H/q+2;;/p-2