Basic information
- Standard SMILES
CC[N+]1(C)C[C@@H](SCc2ccc(OC)cc2)C[C@H]1C(N)=O.O=S(=O)([O-])F- InChIKey
KFZUVFAPABMYSW-QFTOSHRNSA-N- Molecular formula
- C16H25FN2O5S2
- Average molar mass
- 408.5 g/mol
Names & identifiers
- Preferred name
- (2S, 4S)-2-Carbamoyl-4-(4-methoxybenzylthio)-1-ethyl-1-methylpyrrolidinium fluorosulfonate
Names & synonyms
KFZUVFAPABMYSW-QFTOSHRNSA-N(2S, 4S)-2-Carbamoyl-4-(4-methoxybenzylthio)-1-ethyl-1-methylpyrrolidinium fluorosulfonate
Database identifiers
- PubChem CID
- 86745657
Properties
Computed structural properties
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 437
Related reactions
2 records
Compound notes
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