[2-[4-[2-[dimethyl-[[2-(phenylcarbonyloxy)cyclohexyl]methyl]azaniumyl]ethanoyl]phenyl]-2-oxidanylidene-ethyl]-dimethyl-[[2-(phenylcarbonyloxy)cyclohexyl]methyl]azanium dibromide

Systemtic Name: [2-[4-[2-[dimethyl-[[2-(phenylcarbonyloxy)cyclohexyl]methyl]azaniumyl]ethanoyl]phenyl]-2-oxidanylidene-ethyl]-dimethyl-[[2-(phenylcarbonyloxy)cyclohexyl]methyl]azanium dibromide Openeye Name: (2-benzoyloxycyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxycyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-oxo-ethyl]-dimethyl-ammonium dibromide CAS Name: (2-benzoyloxycyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxycyclohexyl)methyl-dimethylammonio]-1-oxoethyl]phenyl]-2-oxoethyl]-dimethylammonium dibromide IUPAC Name: (2-benzoyloxycyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxycyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide Traditional Name: (2-benzoyloxycyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxycyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-keto-ethyl]-dimethyl-ammonium dibromide Formula: C42H54Br2N2O6 MolecularWeight: 842.69596

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1CCCCC1OC(=O)C2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)C(=O)C[N+](C)(C)CC4CCCCC4OC(=O)C5=CC=CC=C5.[Br-].[Br-]

Isomeric SMILES

C[N+](C)(CC1CCCCC1OC(=O)C2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)C(=O)C[N+](C)(C)CC4CCCCC4OC(=O)C5=CC=CC=C5.[Br-].[Br-]

InChI

InChI=1S/C42H54N2O6.2BrH/c1-43(2,27-35-19-11-13-21-39(35)49-41(47)33-15-7-5-8-16-33)29-37(45)31-23-25-32(26-24-31)38(46)30-44(3,4)28-36-20-12-14-22-40(36)50-42(48)34-17-9-6-10-18-34;;/h5-10,15-18,23-26,35-36,39-40H,11-14,19-22,27-30H2,1-4H3;2*1H/q+2;;/p-2