Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((2-ethoxyethyl)dimethyl-, dibromide

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Basic information

CAS: 58594-13-1
Standard SMILES: CCOCC[N+](C)(C)C(=O)Cc1ccc(-c2ccc(CC(=O)[N+](C)(C)CCOCC)cc2)cc1.[Br-].[Br-]
InChIKey: ZIBXCOKSRSJVLA-UHFFFAOYSA-L
Molecular formula: C28H42Br2N2O4
Average molar mass: 630.5 g/mol
Monoisotopic mass: 628.15113

Names & identifiers

Preferred name: Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((2-ethoxyethyl)dimethyl-, dibromide
IUPAC: 2-ethoxyethyl-[2-[4-[4-[2-[2-ethoxyethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide

Names & synonyms

Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((2-ethoxyethyl)dimethyl-, dibromide58594-13-1(4,4'-Biphenylylenebis(2-oxoethylene))bis((2-ethoxyethyl)dimethylammonium) dibromideRefChem:318898DTXSID709741432,2'-([1,1'-Biphenyl]-4,4'-diyl)bis[N-(2-ethoxyethyl)-N,N-dimethylethanamidium] dibromide

Database identifiers

CAS: 58594-13-1
PubChem CID: 42790
DTXSID: DTXSID70974143

Properties

Computed structural properties

Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 13
Heavy atoms: 36
Formal charge: 0
Complexity: 564

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Compound notes

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