Basic information
- CAS
64048-38-0- Standard SMILES
C[N+](C)(C)c1ccc(OC(=O)c2ccccc2)cc1.[Br-]- InChIKey
ZEDGXSBAZFPSSM-UHFFFAOYSA-M- Molecular formula
- C16H18BrNO2
- Average molar mass
- 336.22 g/mol
- Monoisotopic mass
- 335.05209
Names & identifiers
- Preferred name
- 4-(Benzoyloxy)-N,N,N-trimethylanilinium bromide
- IUPAC
- (4-benzoyloxyphenyl)-trimethylazanium bromide
Names & synonyms
64048-38-0DTXSID609822724-(BENZOYLOXY)-N,N,N-TRIMETHYLANILINIUM BROMIDERefChem:1070038DTXCID0014095364-Benzoyloxyphenyltrimethylammonium bromide(4-benzoyloxyphenyl)-trimethylazanium bromideRo 2-2765AMMONIUM, (4-BENZOYLOXY)PHENYLTRIMETHYL-, BROMIDEBenzenaminium, 4-(benzoyloxy)-N,N,N-trimethyl-, bromide
Database identifiers
- CAS
64048-38-0- PubChem CID
- 46772
- DTXSID
DTXSID60982272
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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