Basic information
- CAS
5096-12-8- Standard SMILES
CC(=O)c1ccc[n+](Cc2ccccc2)c1.[Cl-]- InChIKey
UOWKGIUYMOGOMF-UHFFFAOYSA-M- Molecular formula
- C14H14ClNO
- Average molar mass
- 247.72 g/mol
- Monoisotopic mass
- 247.0763918
Names & identifiers
- Preferred name
- Pyridinium, 3-acetyl-1-(phenylmethyl)-, chloride (1:1)
- IUPAC
- 1-(1-benzylpyridin-1-ium-3-yl)ethanone chloride
Names & synonyms
5096-12-8Pyridinium, 3-acetyl-1-(phenylmethyl)-, chloride (1:1)RefChem:10974403-Acetyl-1-benzylpyridinium chloride3-ACETYL-1-BENZYLPYRIDIN-1-IUM CHLORIDENSC 51898Pyridinium, 3-acetyl-1-benzyl-, chlorideSCHEMBL2767719DTXSID70965218NSC51898NSC-51898H48139
Show more names
1-(1-benzylpyridin-1-ium-3-yl)ethanone;chloride
Database identifiers
- CAS
5096-12-8- PubChem CID
- 199836
- DTXSID
DTXSID70965218
Properties
Computed structural properties
- Topological polar surface area
- 21 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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