Basic information
- CAS
13076-44-3- Standard SMILES
CCOC(=O)c1ccc[n+](Cc2ccccc2)c1.[Cl-]- InChIKey
XKWWHOUTYAENKC-UHFFFAOYSA-M- Molecular formula
- C15H16ClNO2
- Average molar mass
- 277.74 g/mol
- Monoisotopic mass
- 277.0869564
Names & identifiers
- Preferred name
- Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1)
- IUPAC
- ethyl 1-benzylpyridin-1-ium-3-carboxylate chloride
Names & synonyms
Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride13076-44-3DTXSID10884570Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1)RefChem:177677DTXCID801024005XKWWHOUTYAENKC-UHFFFAOYSA-M1-BENZYL-3-(ETHOXYCARBONYL)PYRIDIN-1-IUM CHLORIDE
Database identifiers
- CAS
13076-44-3- PubChem CID
- 83108
- DTXSID
DTXSID10884570
Properties
Computed structural properties
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 261
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…