Basic information
- Standard SMILES
CC[N+]1(C)C[C@@H](SCc2ccc(OC)cc2)C[C@H]1C(=O)NC.O=S(=O)([O-])F- InChIKey
MLYFARCXNCWIBY-SDCMMSMASA-N- Molecular formula
- C17H27FN2O5S2
- Average molar mass
- 422.5 g/mol
Names & identifiers
- Preferred name
- (2S, 4S)-1-Ethyl-1-methyl-2-methylcarbamoyl-4-(4-methoxybenzylthio)pyrrolidinium fluorosulfonate
Names & synonyms
MLYFARCXNCWIBY-SDCMMSMASA-N(2S, 4S)-1-Ethyl-1-methyl-2-methylcarbamoyl-4-(4-methoxybenzylthio)pyrrolidinium fluorosulfonate
Database identifiers
- PubChem CID
- 86745659
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 451
Related reactions
2 records
Linked notes
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