bis[8-[(4-acetyloxy-3,5-dimethoxy-phenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate dibromide

Systemtic Name: bis[8-[(4-acetyloxy-3,5-dimethoxy-phenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate dibromide Openeye Name: bis[8-[(4-acetoxy-3,5-dimethoxy-phenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate dibromide CAS Name: bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid bis[8-[(4-acetyloxy-3,5-dimethoxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester dibromide IUPAC Name: bis[8-[(4-acetyloxy-3,5-dimethoxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate dibromide Traditional Name: bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid bis[8-(4-acetoxy-3,5-dimethoxy-benzyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester dibromide Formula: C47H62Br2N2O12 MolecularWeight: 1006.80938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1OC)C[N+]2(C3CCC2CC(C3)OC(=O)C4C5CC(C4C(=O)OC6CC7CCC(C6)[N+]7(C)CC8=CC(=C(C(=C8)OC)OC(=O)C)OC)C=C5)C)OC.[Br-].[Br-]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1OC)C[N+]2(C3CCC2CC(C3)OC(=O)C4C5CC(C4C(=O)OC6CC7CCC(C6)[N+]7(C)CC8=CC(=C(C(=C8)OC)OC(=O)C)OC)C=C5)C)OC.[Br-].[Br-]

InChI

InChI=1S/C47H62N2O12.2BrH/c1-26(50)58-44-38(54-5)15-28(16-39(44)55-6)24-48(3)32-11-12-33(48)21-36(20-32)60-46(52)42-30-9-10-31(19-30)43(42)47(53)61-37-22-34-13-14-35(23-37)49(34,4)25-29-17-40(56-7)45(59-27(2)51)41(18-29)57-8;;/h9-10,15-18,30-37,42-43H,11-14,19-25H2,1-8H3;2*1H/q+2;;/p-2