bis[8-[(2-acetyloxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] cyclobutane-1,2-dicarboxylate

Systemtic Name: bis[8-[(2-acetyloxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] cyclobutane-1,2-dicarboxylate Openeye Name: bis[8-[(2-acetoxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] cyclobutane-1,2-dicarboxylate CAS Name: cyclobutane-1,2-dicarboxylic acid bis[8-[(2-acetyloxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: bis[8-[(2-acetyloxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] cyclobutane-1,2-dicarboxylate Traditional Name: cyclobutane-1,2-dicarboxylic acid bis[8-(2-acetoxybenzyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C40H52N2O8+2 MolecularWeight: 688.84948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C[N+]2(C3CCC2CC(C3)OC(=O)C4CCC4C(=O)OC5CC6CCC(C5)[N+]6(C)CC7=CC=CC=C7OC(=O)C)C

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C[N+]2(C3CCC2CC(C3)OC(=O)C4CCC4C(=O)OC5CC6CCC(C5)[N+]6(C)CC7=CC=CC=C7OC(=O)C)C

InChI

InChI=1S/C40H52N2O8/c1-25(43)47-37-11-7-5-9-27(37)23-41(3)29-13-14-30(41)20-33(19-29)49-39(45)35-17-18-36(35)40(46)50-34-21-31-15-16-32(22-34)42(31,4)24-28-10-6-8-12-38(28)48-26(2)44/h5-12,29-36H,13-24H2,1-4H3/q+2