Basic information
- Standard SMILES
COc1ccc(CSC2C[N+]3(C)CCC2CC3)cc1.O=S(=O)([O-])F- InChIKey
WICYNJYIQSROAT-UHFFFAOYSA-M- Molecular formula
- C16H24FNO4S2
- Average molar mass
- 377.5 g/mol
Names & identifiers
- Preferred name
- 3-(4-Methoxybenzylthio)-1-methylquinuclidinium fluorosulfonate
Names & synonyms
SCHEMBL9414485WICYNJYIQSROAT-UHFFFAOYSA-M3-(4-Methoxybenzylthio)-1-methylquinuclidinium fluorosulfonate
Database identifiers
- PubChem CID
- 19797250
Properties
Computed structural properties
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 372
Related reactions
2 records
Compound notes
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