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

Systemtic Name: (2-acetyloxy-2-cyano-cyclohexyl)methyl-[2-[4-[4-[2-[(2-acetyloxy-2-cyano-cyclohexyl)methyl-dimethyl-azaniumyl]-2-oxidanylidene-ethyl]phenyl]phenyl]ethanoyl]-dimethyl-azanium dibromide Openeye Name: (2-acetoxy-2-cyano-cyclohexyl)methyl-[2-[4-[4-[2-[(2-acetoxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium dibromide CAS Name: (2-acetyloxy-2-cyanocyclohexyl)methyl-[2-[4-[4-[2-[(2-acetyloxy-2-cyanocyclohexyl)methyl-dimethylammonio]-2-oxoethyl]phenyl]phenyl]-1-oxoethyl]-dimethylammonium dibromide IUPAC Name: (2-acetyloxy-2-cyanocyclohexyl)methyl-[2-[4-[4-[2-[(2-acetyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide Traditional Name: (2-acetoxy-2-cyano-cyclohexyl)methyl-[2-[4-[4-[2-[(2-acetoxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]-2-keto-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium dibromide Formula: C40H52Br2N4O6 MolecularWeight: 844.67208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CCCCC1C[N+](C)(C)C(=O)CC2=CC=C(C=C2)C3=CC=C(C=C3)CC(=O)[N+](C)(C)CC4CCCCC4(C#N)OC(=O)C)C#N.[Br-].[Br-]

Isomeric SMILES

CC(=O)OC1(CCCCC1C[N+](C)(C)C(=O)CC2=CC=C(C=C2)C3=CC=C(C=C3)CC(=O)[N+](C)(C)CC4CCCCC4(C#N)OC(=O)C)C#N.[Br-].[Br-]

InChI

InChI=1S/C40H52N4O6.2BrH/c1-29(45)49-39(27-41)21-9-7-11-35(39)25-43(3,4)37(47)23-31-13-17-33(18-14-31)34-19-15-32(16-20-34)24-38(48)44(5,6)26-36-12-8-10-22-40(36,28-42)50-30(2)46;;/h13-20,35-36H,7-12,21-26H2,1-6H3;2*1H/q+2;;/p-2