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

HCID 34097

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Basic information

CAS: 28003-36-3
Standard SMILES: C[N+](C)(CC1CCCCC1OC(=O)c1ccccc1)C(=O)Cc1ccc(-c2ccc(CC(=O)[N+](C)(C)CC3CCCCC3OC(=O)c3ccccc3)cc2)cc1.[Br-].[Br-]
InChIKey: BOKRZPYGLCDDFH-UHFFFAOYSA-L
Molecular formula: C48H58Br2N2O6
Average molar mass: 918.8 g/mol
Monoisotopic mass: 916.26616

Names & identifiers

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

Names & synonyms

28003-36-3Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis(((2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, dibenzoateRefChem:1076775DTXSID701384212(2-benzoyloxycyclohexyl)methyl-[2-[4-[4-[2-[(2-benzoyloxycyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium;dibromide

Database identifiers

CAS: 28003-36-3
PubChem CID: 34097
DTXSID: DTXSID701384212

Properties

Computed structural properties

Topological polar surface area: 86.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 15
Heavy atoms: 58
Formal charge: 0
Complexity: 1,190

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