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

Systemtic Name: (2-acetyloxycyclohexyl)methyl-[2-[4-[2-[(2-acetyloxycyclohexyl)methyl-dimethyl-azaniumyl]ethanoyl]phenyl]-2-oxidanylidene-ethyl]-dimethyl-azanium dibromide Openeye Name: (2-acetoxycyclohexyl)methyl-[2-[4-[2-[(2-acetoxycyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-oxo-ethyl]-dimethyl-ammonium dibromide CAS Name: (2-acetyloxycyclohexyl)methyl-[2-[4-[2-[(2-acetyloxycyclohexyl)methyl-dimethylammonio]-1-oxoethyl]phenyl]-2-oxoethyl]-dimethylammonium dibromide IUPAC Name: (2-acetyloxycyclohexyl)methyl-[2-[4-[2-[(2-acetyloxycyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide Traditional Name: (2-acetoxycyclohexyl)methyl-[2-[4-[2-[(2-acetoxycyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-keto-ethyl]-dimethyl-ammonium dibromide Formula: C32H50Br2N2O6 MolecularWeight: 718.5572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCCC1C[N+](C)(C)CC(=O)C2=CC=C(C=C2)C(=O)C[N+](C)(C)CC3CCCCC3OC(=O)C.[Br-].[Br-]

Isomeric SMILES

CC(=O)OC1CCCCC1C[N+](C)(C)CC(=O)C2=CC=C(C=C2)C(=O)C[N+](C)(C)CC3CCCCC3OC(=O)C.[Br-].[Br-]

InChI

InChI=1S/C32H50N2O6.2BrH/c1-23(35)39-31-13-9-7-11-27(31)19-33(3,4)21-29(37)25-15-17-26(18-16-25)30(38)22-34(5,6)20-28-12-8-10-14-32(28)40-24(2)36;;/h15-18,27-28,31-32H,7-14,19-22H2,1-6H3;2*1H/q+2;;/p-2