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

HCID 32807

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Basic information

CAS: 25150-69-0
Standard SMILES: C[N+](C)(CC1CCCCC1(O)C#N)C(=O)Cc1ccc(-c2ccc(CC(=O)[N+](C)(C)CC3CCCCC3(O)C#N)cc2)cc1.[Br-].[Br-]
InChIKey: GFXTZCDKFYOGQK-UHFFFAOYSA-L
Molecular formula: C36H48Br2N4O4
Average molar mass: 760.6 g/mol
Monoisotopic mass: 758.20423

Names & identifiers

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

Names & synonyms

25150-69-0Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis(((2-cyano-2-hydroxycyclohexyl)methyl)dimethyl-, dibromideRefChem:318893DTXSID609480102,2'-([1,1'-Biphenyl]-4,4'-diyl)bis{N-[(2-cyano-2-hydroxycyclohexyl)methyl]-N,N-dimethylethanamidium} dibromide

Database identifiers

CAS: 25150-69-0
PubChem CID: 32807
DTXSID: DTXSID60948010

Properties

Computed structural properties

Topological polar surface area: 122 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 46
Formal charge: 0
Complexity: 1,030

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