Basic information
- CAS
16332-51-7- Standard SMILES
CCOCC[N+](C)(C)C.[I-]- InChIKey
SHCLHGQKJMOYER-UHFFFAOYSA-M- Molecular formula
- C7H18INO
- Average molar mass
- 259.13 g/mol
- Monoisotopic mass
- 259.04331
Names & identifiers
- Preferred name
- O-Ethylcholine iodide
- IUPAC
- 2-ethoxyethyl(trimethyl)azanium iodide
Names & synonyms
O-Ethylcholine iodideRefChem:92805016332-51-7Ethoxyethyltrimethylammonium iodide2-Ethoxy-N,N,N-trimethylethan-1-aminium iodideCholine ethyl etherCHEMBL148369Ethanaminium, 2-ethoxy-N,N,N-trimethyl-, iodide(2-Ethoxyethyl)trimethylammonium iodideAmmonium, 2-ethoxyethyltrimethyl-, iodideDTXSID80936818AKOS003267343
Database identifiers
- CAS
16332-51-7- PubChem CID
- 85369
- DTXSID
DTXSID80936818- ChEMBL
CHEMBL148369
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 65.8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…