Basic information
- CAS
64048-36-8- Standard SMILES
CC[N+](C)(CC)c1cccc(C(=O)Oc2ccccc2)c1.[Br-]- InChIKey
VSMAAVOHRLPPEX-UHFFFAOYSA-M- Molecular formula
- C18H22BrNO2
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 363.08339
Names & identifiers
- Preferred name
- Ammonium, (3-benzoyloxy)phenyldiethylmethyl-, bromide
- IUPAC
- diethyl-methyl-(3-phenoxycarbonylphenyl)azanium bromide
Names & synonyms
64048-36-8AMMONIUM, (3-BENZOYLOXY)PHENYLDIETHYLMETHYL-, BROMIDERefChem:10767513-Benzoyloxyphenyldiethylmethylammonium bromideRo 2-2788DTXSID40982270Benzenaminium, 3-(benzoyloxy)-N,N-diethyl-N-methyl-, bromideN,N-DIETHYL-N-METHYL-3-(PHENOXYCARBONYL)ANILINIUM BROMIDE
Database identifiers
- CAS
64048-36-8- PubChem CID
- 46768
- DTXSID
DTXSID40982270
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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