N-[1-[2-(4-fluorophenyl)-2-oxoethyl]pyridin-1-ium-3-yl]ethanimidate;hydrobromide
Basic information
- CAS
399-04-2- Standard SMILES
Br.CC([O-])=Nc1ccc[n+](CC(=O)c2ccc(F)cc2)c1- InChIKey
CVILHAAYVMWWPB-UHFFFAOYSA-N- Molecular formula
- C15H14BrFN2O2
- Average molar mass
- 353.19 g/mol
- Monoisotopic mass
- 352.02227
Names & identifiers
- Preferred name
- N-[1-[2-(4-fluorophenyl)-2-oxoethyl]pyridin-1-ium-3-yl]ethanimidate;hydrobromide
- IUPAC
- N-[1-[2-(4-fluorophenyl)-2-oxoethyl]pyridin-1-ium-3-yl]ethanimidate;hydrobromide
Database identifiers
- CAS
399-04-2- PubChem CID
- 171376166
Properties
Computed structural properties
- Topological polar surface area
- 56.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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