Basic information
- CAS
64048-39-1- Standard SMILES
C[N+](C)(C)Cc1ccccc1OC(=O)c1ccccc1.[Br-]- InChIKey
QNPIQYMRMOUVIP-UHFFFAOYSA-M- Molecular formula
- C17H20BrNO2
- Average molar mass
- 350.2 g/mol
- Monoisotopic mass
- 349.06774
Names & identifiers
- Preferred name
- Ammonium, (2-benzoyloxy)benzyltrimethyl-, bromide
- IUPAC
- (2-benzoyloxyphenyl)methyl-trimethylazanium bromide
Names & synonyms
2-Benzoyloxybenzyltrimethylammonium bromide64048-39-1Ro 2-2819AMMONIUM, (2-BENZOYLOXY)BENZYLTRIMETHYL-, BROMIDERefChem:318779(2-benzoyloxyphenyl)methyl-trimethylazanium bromideDTXSID20982273[2-(Benzoyloxy)phenyl]-N,N,N-trimethylmethanaminium bromide
Database identifiers
- CAS
64048-39-1- PubChem CID
- 46774
- DTXSID
DTXSID20982273
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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