Basic information
- Standard SMILES
C[N+](C)(C)CCOC(=O)c1ccccc1O.O=S([O-])[O-].[Na+]- InChIKey
CRHLFIVBINLMBE-UHFFFAOYSA-M- Molecular formula
- C12H18NNaO6S
- Average molar mass
- 327.33 g/mol
Names & identifiers
- Preferred name
- Choline salicylate sodium sulfite
- IUPAC
- sodium;2-(2-hydroxybenzoyl)oxyethyl-trimethylazanium;sulfite
Names & synonyms
SCHEMBL9879483choline salicylate sodium sulfiteCRHLFIVBINLMBE-UHFFFAOYSA-M
Database identifiers
- PubChem CID
- 67948796
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 254
Related reactions
4 records
Compound notes
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