Basic information
- CAS
63977-29-7- Standard SMILES
CCOC(=O)Oc1cccc([N+](C)(C)C)c1.[I-]- InChIKey
AVADRBIEFKEQRF-UHFFFAOYSA-M- Molecular formula
- C12H18INO3
- Average molar mass
- 351.18 g/mol
- Monoisotopic mass
- 351.03314
Names & identifiers
- Preferred name
- Ammonium, m-((ethoxycarbonyloxy)phenyl)trimethyl-, iodide
- IUPAC
- (3-ethoxycarbonyloxyphenyl)-trimethylazanium iodide
Names & synonyms
3-Ethylcarboxyphenyl trimethylammonium iodide63977-29-7Carbonic acid, ethyl (m-trimethylammonio)phenyl ester, iodideAMMONIUM, m-((ETHOXYCARBONYLOXY)PHENYL)TRIMETHYL-, IODIDERefChem:319399DTXSID309813983-[(ethoxycarbonyl)oxy]-N,N,N-trimethylanilinium iodide
Database identifiers
- CAS
63977-29-7- PubChem CID
- 45765
- DTXSID
DTXSID30981398
Properties
Computed structural properties
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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