Basic information
- Standard SMILES
OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3F)(CC1)CC2- InChIKey
HCRLOCCHDMBEFH-UHFFFAOYSA-N- Molecular formula
- C29H33FNO2+
- Average molar mass
- 446.6 g/mol
Names & identifiers
- Preferred name
- [1-[3-(2-Fluorophenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol
- IUPAC
- [1-[3-(2-fluorophenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol
Names & synonyms
SCHEMBL17964512
Database identifiers
- PubChem CID
- 11540987
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 1
- Complexity
- 585
Related reactions
1 records
Compound notes
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