Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis(((2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, diacetate

HCID 34095

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Basic information

CAS: 28003-35-2
Standard SMILES: CC(=O)OC1CCCCC1C[N+](C)(C)C(=O)Cc1ccc(-c2ccc(CC(=O)[N+](C)(C)CC3CCCCC3OC(C)=O)cc2)cc1.[Br-].[Br-]
InChIKey: DIEYLIPKFCCQBS-UHFFFAOYSA-L
Molecular formula: C38H54Br2N2O6
Average molar mass: 794.7 g/mol
Monoisotopic mass: 792.23486

Names & identifiers

Preferred name: Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis(((2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, diacetate
IUPAC: (2-acetyloxycyclohexyl)methyl-[2-[4-[4-[2-[(2-acetyloxycyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide

Names & synonyms

28003-35-2Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis(((2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, diacetateRefChem:318896DTXSID909506862,2'-([1,1'-Biphenyl]-4,4'-diyl)bis(N-{[2-(acetyloxy)cyclohexyl]methyl}-N,N-dimethylethanamidium) dibromide

Database identifiers

CAS: 28003-35-2
PubChem CID: 34095
DTXSID: DTXSID90950686

Properties

Computed structural properties

Topological polar surface area: 86.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 13
Heavy atoms: 48
Formal charge: 0
Complexity: 958

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