Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((4-oxopentyl)dimethyl-, dibromide
Basic information
- CAS
58594-14-2- Standard SMILES
CC(=O)CCC[N+](C)(C)C(=O)Cc1ccc(-c2ccc(CC(=O)[N+](C)(C)CCCC(C)=O)cc2)cc1.[Br-].[Br-]- InChIKey
WQSWSJIXQGNBAB-UHFFFAOYSA-L- Molecular formula
- C30H42Br2N2O4
- Average molar mass
- 654.5 g/mol
- Monoisotopic mass
- 652.15113
Names & identifiers
- Preferred name
- Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((4-oxopentyl)dimethyl-, dibromide
- IUPAC
- [2-[4-[4-[2-[dimethyl(4-oxopentyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethyl-(4-oxopentyl)azanium dibromide
Names & synonyms
Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((4-oxopentyl)dimethyl-, dibromide58594-14-2(4,4'-Biphenylylenebis(2-oxoethylene))bis((4-oxopentyl)dimethylammonium) dibromideRefChem:318899DTXSID309741442,2'-([1,1'-Biphenyl]-4,4'-diyl)bis[N,N-dimethyl-N-(4-oxopentyl)ethanamidium] dibromide
Database identifiers
- CAS
58594-14-2- PubChem CID
- 42792
- DTXSID
DTXSID30974144
Properties
Computed structural properties
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 693
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Compound notes
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