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

Systemtic Name: [2-cyano-2-(phenylcarbonyloxy)cyclohexyl]methyl-[2-[4-[4-[2-[[2-cyano-2-(phenylcarbonyloxy)cyclohexyl]methyl-dimethyl-azaniumyl]-2-oxidanylidene-ethyl]phenyl]phenyl]ethanoyl]-dimethyl-azanium dibromide Openeye Name: (2-benzoyloxy-2-cyano-cyclohexyl)methyl-[2-[4-[4-[2-[(2-benzoyloxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium dibromide CAS Name: (2-benzoyloxy-2-cyanocyclohexyl)methyl-[2-[4-[4-[2-[(2-benzoyloxy-2-cyanocyclohexyl)methyl-dimethylammonio]-2-oxoethyl]phenyl]phenyl]-1-oxoethyl]-dimethylammonium dibromide IUPAC Name: (2-benzoyloxy-2-cyanocyclohexyl)methyl-[2-[4-[4-[2-[(2-benzoyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide Traditional Name: (2-benzoyloxy-2-cyano-cyclohexyl)methyl-[2-[4-[4-[2-[(2-benzoyloxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]-2-keto-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium dibromide Formula: C50H56Br2N4O6 MolecularWeight: 968.81084

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1CCCCC1(C#N)OC(=O)C2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)C4=CC=C(C=C4)CC(=O)[N+](C)(C)CC5CCCCC5(C#N)OC(=O)C6=CC=CC=C6.[Br-].[Br-]

Isomeric SMILES

C[N+](C)(CC1CCCCC1(C#N)OC(=O)C2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)C4=CC=C(C=C4)CC(=O)[N+](C)(C)CC5CCCCC5(C#N)OC(=O)C6=CC=CC=C6.[Br-].[Br-]

InChI

InChI=1S/C50H56N4O6.2BrH/c1-53(2,33-43-19-11-13-29-49(43,35-51)59-47(57)41-15-7-5-8-16-41)45(55)31-37-21-25-39(26-22-37)40-27-23-38(24-28-40)32-46(56)54(3,4)34-44-20-12-14-30-50(44,36-52)60-48(58)42-17-9-6-10-18-42;;/h5-10,15-18,21-28,43-44H,11-14,19-20,29-34H2,1-4H3;2*1H/q+2;;/p-2