2-[2-(4-Fluorophenyl)-2-oxoethyl]-3-methylisoquinolin-2-ium bromide
Basic information
- CAS
450-53-3- Standard SMILES
Cc1cc2ccccc2c[n+]1CC(=O)c1ccc(F)cc1.[Br-]- InChIKey
GEIRHBCKBYKQOK-UHFFFAOYSA-M- Molecular formula
- C18H15BrFNO
- Average molar mass
- 360.2 g/mol
- Monoisotopic mass
- 359.0321
Names & identifiers
- Preferred name
- 2-[2-(4-Fluorophenyl)-2-oxoethyl]-3-methylisoquinolin-2-ium bromide
- IUPAC
- 1-(4-fluorophenyl)-2-(3-methylisoquinolin-2-ium-2-yl)ethanone bromide
Names & synonyms
450-53-3DTXSID30636876NSC34183NSC-341832-[2-(4-Fluorophenyl)-2-oxoethyl]-3-methylisoquinolin-2-ium bromide
Database identifiers
- CAS
450-53-3- PubChem CID
- 24184331
- DTXSID
DTXSID30636876
Properties
Computed structural properties
- Topological polar surface area
- 21 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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