Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, hydrochloride
Basic information
- CAS
15997-83-8- Standard SMILES
O=C(CCC[NH+]1CCc2ccccc2C1)c1ccc(F)cc1.[Cl-]- InChIKey
NYPZNAJURMCUDW-UHFFFAOYSA-N- Molecular formula
- C19H21ClFNO
- Average molar mass
- 333.8 g/mol
- Monoisotopic mass
- 333.1295701
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, hydrochloride
- IUPAC
- 1-(4-fluorophenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butan-1-one chloride
Names & synonyms
15997-83-8BUTYROPHENONE, 4'-FLUORO-4-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)-, HYDROCHLORIDERefChem:1080517p-Fluoro-4-(1,2,3,4-tetrahydroisoquinolinyl)butyrophenone hydrochloride1-(4-fluorophenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butan-1-one;chloride
Database identifiers
- CAS
15997-83-8- PubChem CID
- 27619
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 364
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…