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

Systemtic Name: (2-acetyloxy-2-cyano-cyclohexyl)methyl-[2-[4-[2-[(2-acetyloxy-2-cyano-cyclohexyl)methyl-dimethyl-azaniumyl]ethanoyl]phenyl]-2-oxidanylidene-ethyl]-dimethyl-azanium dibromide Openeye Name: (2-acetoxy-2-cyano-cyclohexyl)methyl-[2-[4-[2-[(2-acetoxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-oxo-ethyl]-dimethyl-ammonium dibromide CAS Name: (2-acetyloxy-2-cyanocyclohexyl)methyl-[2-[4-[2-[(2-acetyloxy-2-cyanocyclohexyl)methyl-dimethylammonio]-1-oxoethyl]phenyl]-2-oxoethyl]-dimethylammonium dibromide IUPAC Name: (2-acetyloxy-2-cyanocyclohexyl)methyl-[2-[4-[2-[(2-acetyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide Traditional Name: (2-acetoxy-2-cyano-cyclohexyl)methyl-[2-[4-[2-[(2-acetoxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-keto-ethyl]-dimethyl-ammonium dibromide Formula: C34H48Br2N4O6 MolecularWeight: 768.57612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CCCCC1C[N+](C)(C)CC(=O)C2=CC=C(C=C2)C(=O)C[N+](C)(C)CC3CCCCC3(C#N)OC(=O)C)C#N.[Br-].[Br-]

Isomeric SMILES

CC(=O)OC1(CCCCC1C[N+](C)(C)CC(=O)C2=CC=C(C=C2)C(=O)C[N+](C)(C)CC3CCCCC3(C#N)OC(=O)C)C#N.[Br-].[Br-]

InChI

InChI=1S/C34H48N4O6.2BrH/c1-25(39)43-33(23-35)17-9-7-11-29(33)19-37(3,4)21-31(41)27-13-15-28(16-14-27)32(42)22-38(5,6)20-30-12-8-10-18-34(30,24-36)44-26(2)40;;/h13-16,29-30H,7-12,17-22H2,1-6H3;2*1H/q+2;;/p-2