3-(Aminocarbonyl)-1-(4-methylbenzyl)pyridinium chloride
Basic information
- CAS
52354-19-5- Standard SMILES
Cc1ccc(C[n+]2cccc(C(N)=O)c2)cc1.[Cl-]- InChIKey
FOGQUUAVSDTSEB-UHFFFAOYSA-N- Molecular formula
- C14H15ClN2O
- Average molar mass
- 262.73 g/mol
- Monoisotopic mass
- 262.0872908
Names & identifiers
- Preferred name
- 3-(Aminocarbonyl)-1-(4-methylbenzyl)pyridinium chloride
- IUPAC
- 1-[(4-methylphenyl)methyl]pyridin-1-ium-3-carboxamide chloride
- English name
- 1-(4-Methylbenzyl)-3-carbamoylpyridinium chloride
- Molecular formula
- C14H15ClN2O
- Molecular weight
- 263
Names & synonyms
3-(aminocarbonyl)-1-(4-methylbenzyl)pyridinium chloride52354-19-51-(4-Methylbenzyl)-3-carbamoylpyridinium chloride
Database identifiers
- CAS
52354-19-5- PubChem CID
- 2801606
Properties
Computed structural properties
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
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Compound notes
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