Ammonium, benzyldiethyl(2-(p-styrylphenoxy)ethyl)-, bromide

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Basic information

CAS: 64048-41-5
Standard SMILES: CC[N+](CC)(CCOc1ccc(/C=C/c2ccccc2)cc1)Cc1ccccc1.[Br-]
InChIKey: FAYONKYSJFJACM-GEEYTBSJSA-M
Molecular formula: C27H32BrNO
Average molar mass: 466.5 g/mol
Monoisotopic mass: 465.16673

Names & identifiers

Preferred name: Ammonium, benzyldiethyl(2-(p-styrylphenoxy)ethyl)-, bromide
IUPAC: benzyl-diethyl-[2-[4-[(E)-2-phenylethenyl]phenoxy]ethyl]azanium bromide

Names & synonyms

AMMONIUM, BENZYLDIETHYL(2-(p-STYRYLPHENOXY)ETHYL)-, BROMIDE64048-41-5RefChem:1076847Benzyldiethyl(2-(p-styrylphenoxy)ethyl)ammonium bromideM.G. 1071CHEMBL5186396Bromuro di benzil-dietil(beta-4-stilbenossi-etil)ammonio [Italian]Bromuro di benzil-dietil(beta-4-stilbenossi-etil)ammonio

Database identifiers

CAS: 64048-41-5
PubChem CID: 6434847
ChEMBL: CHEMBL5186396

Properties

Computed structural properties

Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 10
Heavy atoms: 30
Formal charge: 0
Complexity: 449

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Compound notes

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