Completing data — usually done within a minute
Basic information
- CAS
342789-83-7- Standard SMILES
CCCC[n+]1ccccc1.CS(=O)(=O)[O-]- InChIKey
JMAJSMHSVFMYEH-UHFFFAOYSA-M- Molecular formula
- C10H17NO3S
- Average molar mass
- 231.31 g/mol
- Monoisotopic mass
- 231.0929144
Names & identifiers
- Preferred name
- 1-Butylpyridinium methanesulfonate
- IUPAC
- 1-butylpyridin-1-ium;methanesulfonate
Names & synonyms
1-butylpyridinium methanesulfonateSCHEMBL1715389JMAJSMHSVFMYEH-UHFFFAOYSA-MDTXSID901378540342789-83-7Pyridinium, 1-butyl-, methanesulfonate (1:1)
Database identifiers
- CAS
342789-83-7- PubChem CID
- 13638944
- DTXSID
DTXSID901378540
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 154
Related reactions
1 records
Compound notes
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