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

Systemtic Name: [2-[4-[2-[dimethyl-[(2-oxidanylcyclohexyl)methyl]azaniumyl]ethanoyl]phenyl]-2-oxidanylidene-ethyl]-dimethyl-[(2-oxidanylcyclohexyl)methyl]azanium dibromide Openeye Name: (2-hydroxycyclohexyl)methyl-[2-[4-[2-[(2-hydroxycyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-oxo-ethyl]-dimethyl-ammonium dibromide CAS Name: (2-hydroxycyclohexyl)methyl-[2-[4-[2-[(2-hydroxycyclohexyl)methyl-dimethylammonio]-1-oxoethyl]phenyl]-2-oxoethyl]-dimethylammonium dibromide IUPAC Name: (2-hydroxycyclohexyl)methyl-[2-[4-[2-[(2-hydroxycyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide Traditional Name: (2-hydroxycyclohexyl)methyl-[2-[4-[2-[(2-hydroxycyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-keto-ethyl]-dimethyl-ammonium dibromide Formula: C28H46Br2N2O4 MolecularWeight: 634.48384

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1CCCCC1O)CC(=O)C2=CC=C(C=C2)C(=O)C[N+](C)(C)CC3CCCCC3O.[Br-].[Br-]

Isomeric SMILES

C[N+](C)(CC1CCCCC1O)CC(=O)C2=CC=C(C=C2)C(=O)C[N+](C)(C)CC3CCCCC3O.[Br-].[Br-]

InChI

InChI=1S/C28H46N2O4.2BrH/c1-29(2,17-23-9-5-7-11-25(23)31)19-27(33)21-13-15-22(16-14-21)28(34)20-30(3,4)18-24-10-6-8-12-26(24)32;;/h13-16,23-26,31-32H,5-12,17-20H2,1-4H3;2*1H/q+2;;/p-2