O2-[8-methyl-8-[(4-propanoyloxyphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] O1-[8-methyl-8-[(4-propanoyloxyphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-4-yl] cyclobutane-1,2-dicarboxylate dichloride

Systemtic Name: O2-[8-methyl-8-[(4-propanoyloxyphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] O1-[8-methyl-8-[(4-propanoyloxyphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-4-yl] cyclobutane-1,2-dicarboxylate dichloride Openeye Name: O2-[8-methyl-8-[(4-propanoyloxyphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] O1-[8-methyl-8-[(4-propanoyloxyphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-4-yl] cyclobutane-1,2-dicarboxylate dichloride CAS Name: cyclobutane-1,2-dicarboxylic acid O2-[8-methyl-8-[[4-(1-oxopropoxy)phenyl]methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] ester O1-[8-methyl-8-[[4-(1-oxopropoxy)phenyl]methyl]-8-azoniabicyclo[3.2.1]octan-4-yl] ester dichloride IUPAC Name: 2-O-[8-methyl-8-[(4-propanoyloxyphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 1-O-[8-methyl-8-[(4-propanoyloxyphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-4-yl] cyclobutane-1,2-dicarboxylate dichloride Traditional Name: cyclobutane-1,2-dicarboxylic acid O2-[8-methyl-8-(4-propionyloxybenzyl)-8-azoniabicyclo[3.2.1]octan-3-yl] ester O1-[8-methyl-8-(4-propionyloxybenzyl)-8-azoniabicyclo[3.2.1]octan-4-yl] ester dichloride Formula: C42H56Cl2N2O8 MolecularWeight: 787.80864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)C[N+]2(C3CCC2C(CC3)OC(=O)C4CCC4C(=O)OC5CC6CCC(C5)[N+]6(C)CC7=CC=C(C=C7)OC(=O)CC)C.[Cl-].[Cl-]

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)C[N+]2(C3CCC2C(CC3)OC(=O)C4CCC4C(=O)OC5CC6CCC(C5)[N+]6(C)CC7=CC=C(C=C7)OC(=O)CC)C.[Cl-].[Cl-]

InChI

InChI=1S/C42H56N2O8.2ClH/c1-5-39(45)49-32-15-7-27(8-16-32)25-43(3)30-11-12-31(43)24-34(23-30)51-41(47)35-19-20-36(35)42(48)52-38-22-14-29-13-21-37(38)44(29,4)26-28-9-17-33(18-10-28)50-40(46)6-2;;/h7-10,15-18,29-31,34-38H,5-6,11-14,19-26H2,1-4H3;2*1H/q+2;;/p-2