1-Benzyl-4-(ethoxycarbonyl)-1-ethyl-3-oxopiperidin-1-ium iodide
Basic information
- CAS
90341-16-5- Standard SMILES
CCOC(=O)C1CC[N+](CC)(Cc2ccccc2)CC1=O.[I-]- InChIKey
XCHUDXLCFVEVBJ-UHFFFAOYSA-M- Molecular formula
- C17H24INO3
- Average molar mass
- 417.3 g/mol
- Monoisotopic mass
- 417.08009
Names & identifiers
- Preferred name
- 1-Benzyl-4-(ethoxycarbonyl)-1-ethyl-3-oxopiperidin-1-ium iodide
- IUPAC
- ethyl 1-benzyl-1-ethyl-3-oxopiperidin-1-ium-4-carboxylate iodide
Names & synonyms
90341-16-5DTXSID205245561-Benzyl-4-(ethoxycarbonyl)-1-ethyl-3-oxopiperidin-1-ium iodide
Database identifiers
- CAS
90341-16-5- PubChem CID
- 13171981
- DTXSID
DTXSID20524556
Properties
Computed structural properties
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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