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

Systemtic Name: [2-cyano-2-(phenylcarbonyloxy)cyclohexyl]methyl-[2-[4-[2-[[2-cyano-2-(phenylcarbonyloxy)cyclohexyl]methyl-dimethyl-azaniumyl]ethanoyl]phenyl]-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: (2-benzoyloxy-2-cyano-cyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-oxo-ethyl]-dimethyl-ammonium CAS Name: (2-benzoyloxy-2-cyanocyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxy-2-cyanocyclohexyl)methyl-dimethylammonio]-1-oxoethyl]phenyl]-2-oxoethyl]-dimethylammonium IUPAC Name: (2-benzoyloxy-2-cyanocyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium Traditional Name: (2-benzoyloxy-2-cyano-cyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-keto-ethyl]-dimethyl-ammonium Formula: C44H52N4O6+2 MolecularWeight: 732.90688

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1CCCCC1(C#N)OC(=O)C2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)C(=O)C[N+](C)(C)CC4CCCCC4(C#N)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C[N+](C)(CC1CCCCC1(C#N)OC(=O)C2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)C(=O)C[N+](C)(C)CC4CCCCC4(C#N)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C44H52N4O6/c1-47(2,27-37-19-11-13-25-43(37,31-45)53-41(51)35-15-7-5-8-16-35)29-39(49)33-21-23-34(24-22-33)40(50)30-48(3,4)28-38-20-12-14-26-44(38,32-46)54-42(52)36-17-9-6-10-18-36/h5-10,15-18,21-24,37-38H,11-14,19-20,25-30H2,1-4H3/q+2