Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((1-pentyl)dimethyl-, dibromide

HCID 48176

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Basic information

CAS: 66855-79-6
Standard SMILES: CCCCC[N+](C)(C)C(=O)Cc1ccc(-c2ccc(CC(=O)[N+](C)(C)CCCCC)cc2)cc1.[Br-].[Br-]
InChIKey: KJSCFPLSNZYFRI-UHFFFAOYSA-L
Molecular formula: C30H46Br2N2O2
Average molar mass: 626.5 g/mol
Monoisotopic mass: 624.1926

Names & identifiers

Preferred name: Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((1-pentyl)dimethyl-, dibromide
IUPAC: [2-[4-[4-[2-[dimethyl(pentyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethyl-pentylazanium dibromide

Names & synonyms

Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((1-pentyl)dimethyl-, dibromide66855-79-6(4,4'-Biphenylylenebis(2-oxoethylene))bis((1-pentyl)dimethylammonium) dibromideRefChem:318897DTXSID409854632,2'-([1,1'-Biphenyl]-4,4'-diyl)bis(N,N-dimethyl-N-pentylethanamidium) dibromide

Database identifiers

CAS: 66855-79-6
PubChem CID: 48176
DTXSID: DTXSID40985463

Properties

Computed structural properties

Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 13
Heavy atoms: 36
Formal charge: 0
Complexity: 557

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