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

Systemtic Name: bis[8-[(4-acetyloxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate Openeye Name: bis[8-[(4-acetoxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate CAS Name: bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid bis[8-[(4-acetyloxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: bis[8-[(4-acetyloxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate Traditional Name: bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid bis[8-(4-acetoxybenzyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C43H54N2O8+2 MolecularWeight: 726.89746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C4C5CC(C4C(=O)OC6CC7CCC(C6)[N+]7(C)CC8=CC=C(C=C8)OC(=O)C)C=C5)C

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C4C5CC(C4C(=O)OC6CC7CCC(C6)[N+]7(C)CC8=CC=C(C=C8)OC(=O)C)C=C5)C

InChI

InChI=1S/C43H54N2O8/c1-26(46)50-36-15-5-28(6-16-36)24-44(3)32-11-12-33(44)21-38(20-32)52-42(48)40-30-9-10-31(19-30)41(40)43(49)53-39-22-34-13-14-35(23-39)45(34,4)25-29-7-17-37(18-8-29)51-27(2)47/h5-10,15-18,30-35,38-41H,11-14,19-25H2,1-4H3/q+2