bis[9-[(4-acetyloxyphenyl)methyl]-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] butanedioate

Systemtic Name: bis[9-[(4-acetyloxyphenyl)methyl]-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] butanedioate Openeye Name: bis[9-[(4-acetoxyphenyl)methyl]-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] butanedioate CAS Name: butanedioic acid bis[9-[(4-acetyloxyphenyl)methyl]-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] ester IUPAC Name: bis[9-[(4-acetyloxyphenyl)methyl]-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] butanedioate Traditional Name: succinic acid bis[9-(4-acetoxybenzyl)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] ester Formula: C40H54N2O8+2 MolecularWeight: 690.86536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C[N+]2(C3CCCC2CC(C3)OC(=O)CCC(=O)OC4CC5CCCC(C4)[N+]5(C)CC6=CC=C(C=C6)OC(=O)C)C

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C[N+]2(C3CCCC2CC(C3)OC(=O)CCC(=O)OC4CC5CCCC(C4)[N+]5(C)CC6=CC=C(C=C6)OC(=O)C)C

InChI

InChI=1S/C40H54N2O8/c1-27(43)47-35-15-11-29(12-16-35)25-41(3)31-7-5-8-32(41)22-37(21-31)49-39(45)19-20-40(46)50-38-23-33-9-6-10-34(24-38)42(33,4)26-30-13-17-36(18-14-30)48-28(2)44/h11-18,31-34,37-38H,5-10,19-26H2,1-4H3/q+2