1-Benzyl-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium;4-methylbenzenesulfonate
Basic information
- CAS
201855-54-1- Standard SMILES
Cc1ccc(S(=O)(=O)[O-])cc1.Fc1ccc(C2=CC[NH+](Cc3ccccc3)CC2)cc1- InChIKey
VQOQNZPEIAXGPX-UHFFFAOYSA-N- Molecular formula
- C25H26FNO3S
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.16174303
Names & identifiers
- Preferred name
- 1-Benzyl-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium;4-methylbenzenesulfonate
- IUPAC
- 1-benzyl-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium;4-methylbenzenesulfonate
Database identifiers
- CAS
201855-54-1- PubChem CID
- 11316601
Properties
Computed structural properties
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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