Basic information
- CAS
5822-68-4- Standard SMILES
CCOC(=O)C1=CCC[N+](C)(C)C1.[I-]- InChIKey
ZDBUOENJBRYNKU-UHFFFAOYSA-M- Molecular formula
- C10H18INO2
- Average molar mass
- 311.16 g/mol
- Monoisotopic mass
- 311.03823
Names & identifiers
- Preferred name
- 5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide
- IUPAC
- ethyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide
Names & synonyms
5822-68-4DTXSID009737855-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodideRefChem:1072546DTXCID8014012291-Methyl-3-carboethoxy-1,2,5,6-tetrahydropyridinium iodidePyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, ethyl ester
Database identifiers
- CAS
5822-68-4- PubChem CID
- 79897
- DTXSID
DTXSID00973785
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…