Basic information
- CAS
73962-18-2- Standard SMILES
COc1cccc2c1OCC21CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1.[Cl-]- InChIKey
IZXMDURZDSANLD-UHFFFAOYSA-N- Molecular formula
- C23H27ClFNO3
- Average molar mass
- 419.9 g/mol
- Monoisotopic mass
- 419.1663496
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-4-(7-methoxyspiro(benzofuran-3(2H),4'-piperidin)-1'-yl)-, hydrochloride
- IUPAC
- 1-(4-fluorophenyl)-4-(7-methoxyspiro[2H-1-benzofuran-3,4'-piperidin-1-ium]-1'-yl)butan-1-one chloride
Names & synonyms
73962-18-2Butyrophenone, 4'-fluoro-4-(7-methoxyspiro(benzofuran-3(2H),4'-piperidin)-1'-yl)-, hydrochlorideRefChem:331425
Database identifiers
- CAS
73962-18-2- PubChem CID
- 52824
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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