Basic information
- CAS
64048-40-4- Standard SMILES
C[N+](C)(C)c1cccc(OC(=O)c2ccccc2)c1.[Br-]- InChIKey
TXNREHWFZSEYKZ-UHFFFAOYSA-M- Molecular formula
- C16H18BrNO2
- Average molar mass
- 336.22 g/mol
- Monoisotopic mass
- 335.05209
Names & identifiers
- Preferred name
- 3-(Benzoyloxy)-N,N,N-trimethylanilinium bromide
- IUPAC
- (3-benzoyloxyphenyl)-trimethylazanium bromide
Names & synonyms
64048-40-4DTXSID809822743-(BENZOYLOXY)-N,N,N-TRIMETHYLANILINIUM BROMIDERefChem:1066994DTXCID4014095383-Benzoyloxyphenyltrimethylammonium bromide3-(Benzoyloxy)-N,N,N-trimethylbenzenaminium bromideRo 2-2650AMMONIUM, (3-BENZOYLOXYPHENYL)TRIMETHYL-, BROMIDE
Database identifiers
- CAS
64048-40-4- PubChem CID
- 46776
- DTXSID
DTXSID80982274
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
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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