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

Systemtic Name: (2-cyano-2-oxidanyl-cyclohexyl)methyl-[2-[4-[4-[2-[(2-cyano-2-oxidanyl-cyclohexyl)methyl-dimethyl-azaniumyl]-2-oxidanylidene-ethyl]phenyl]phenyl]ethanoyl]-dimethyl-azanium dibromide Openeye Name: (2-cyano-2-hydroxy-cyclohexyl)methyl-[2-[4-[4-[2-[(2-cyano-2-hydroxy-cyclohexyl)methyl-dimethyl-ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium dibromide CAS Name: (2-cyano-2-hydroxycyclohexyl)methyl-[2-[4-[4-[2-[(2-cyano-2-hydroxycyclohexyl)methyl-dimethylammonio]-2-oxoethyl]phenyl]phenyl]-1-oxoethyl]-dimethylammonium dibromide IUPAC Name: (2-cyano-2-hydroxycyclohexyl)methyl-[2-[4-[4-[2-[(2-cyano-2-hydroxycyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide Traditional Name: (2-cyano-2-hydroxy-cyclohexyl)methyl-[2-[4-[4-[2-[(2-cyano-2-hydroxy-cyclohexyl)methyl-dimethyl-ammonio]-2-keto-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium dibromide Formula: C36H48Br2N4O4 MolecularWeight: 760.59872

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1CCCCC1(C#N)O)C(=O)CC2=CC=C(C=C2)C3=CC=C(C=C3)CC(=O)[N+](C)(C)CC4CCCCC4(C#N)O.[Br-].[Br-]

Isomeric SMILES

C[N+](C)(CC1CCCCC1(C#N)O)C(=O)CC2=CC=C(C=C2)C3=CC=C(C=C3)CC(=O)[N+](C)(C)CC4CCCCC4(C#N)O.[Br-].[Br-]

InChI

InChI=1S/C36H48N4O4.2BrH/c1-39(2,23-31-9-5-7-19-35(31,43)25-37)33(41)21-27-11-15-29(16-12-27)30-17-13-28(14-18-30)22-34(42)40(3,4)24-32-10-6-8-20-36(32,44)26-38;;/h11-18,31-32,43-44H,5-10,19-24H2,1-4H3;2*1H/q+2;;/p-2