Basic information
- CAS
64048-57-3- Standard SMILES
C[N+](C)(C)c1cccc(OC(=O)c2ccc(N)cc2)c1.[Br-]- InChIKey
ZKNWCLWQEQMFBT-UHFFFAOYSA-N- Molecular formula
- C16H19BrN2O2
- Average molar mass
- 351.24 g/mol
- Monoisotopic mass
- 350.06299
Names & identifiers
- Preferred name
- Ammonium, 3-(p-aminobenzoyloxy)phenyltrimethyl-, bromide
- IUPAC
- [3-(4-aminobenzoyl)oxyphenyl]-trimethylazanium bromide
Names & synonyms
3-(p-Aminobenzoyloxy)phenyltrimethylammonium bromideRo 2-290664048-57-3AMMONIUM, 3-(p-AMINOBENZOYLOXY)PHENYLTRIMETHYL-, BROMIDERefChem:319135
Database identifiers
- CAS
64048-57-3- PubChem CID
- 46799
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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