bis[9-[(4-acetyloxyphenyl)methyl]-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] cyclobutane-1,2-dicarboxylate dibromide

Systemtic Name: bis[9-[(4-acetyloxyphenyl)methyl]-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] cyclobutane-1,2-dicarboxylate dibromide Openeye Name: bis[9-[(4-acetoxyphenyl)methyl]-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] cyclobutane-1,2-dicarboxylate dibromide CAS Name: cyclobutane-1,2-dicarboxylic acid bis[9-[(4-acetyloxyphenyl)methyl]-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] ester dibromide IUPAC Name: bis[9-[(4-acetyloxyphenyl)methyl]-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] cyclobutane-1,2-dicarboxylate dibromide Traditional Name: cyclobutane-1,2-dicarboxylic acid bis[9-(4-acetoxybenzyl)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] ester dibromide Formula: C42H56Br2N2O8 MolecularWeight: 876.71064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C[N+]2(C3CCCC2CC(C3)OC(=O)C4CCC4C(=O)OC5CC6CCCC(C5)[N+]6(C)CC7=CC=C(C=C7)OC(=O)C)C.[Br-].[Br-]

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C[N+]2(C3CCCC2CC(C3)OC(=O)C4CCC4C(=O)OC5CC6CCCC(C5)[N+]6(C)CC7=CC=C(C=C7)OC(=O)C)C.[Br-].[Br-]

InChI

InChI=1S/C42H56N2O8.2BrH/c1-27(45)49-35-15-11-29(12-16-35)25-43(3)31-7-5-8-32(43)22-37(21-31)51-41(47)39-19-20-40(39)42(48)52-38-23-33-9-6-10-34(24-38)44(33,4)26-30-13-17-36(18-14-30)50-28(2)46;;/h11-18,31-34,37-40H,5-10,19-26H2,1-4H3;2*1H/q+2;;/p-2