Basic information
- CAS
63981-72-6- Standard SMILES
CCc1ccc(OC(=O)NC)cc1[N+](C)(C)C.[I-]- InChIKey
BRYKURQPSCULDE-UHFFFAOYSA-N- Molecular formula
- C13H21IN2O2
- Average molar mass
- 364.22 g/mol
- Monoisotopic mass
- 364.06478
Names & identifiers
- Preferred name
- Ammonium, ((5-hydroxy-2-ethyl)phenyl)trimethyl-, iodide, methylcarbamate
- IUPAC
- [2-ethyl-5-(methylcarbamoyloxy)phenyl]-trimethylazanium iodide
Names & synonyms
63981-72-6AMMONIUM, ((5-HYDROXY-2-ETHYL)PHENYL)TRIMETHYL-, IODIDE, METHYLCARBAMATERefChem:1076680NIOSH/BQ5915000Ammonium, ((2-ethyl-5-methylcarbamoyloxy)phenyl)trimethyl-, iodideBQ59150000Methiodide of N-methylurethane of 3-dimethylamino-4-ethylphenol(2-Ethyl-5-hydroxyphenyl)trimethylammonium iodide methylcarbamate (ester)Ammonium, (2-ethyl-5-hydroxyphenyl)trimethyl-, iodide, methylcarbamate (ester)T-1741Carbamic acid, methyl-, (4-ethyl-3-trimethylammonio)phenyl ester, iodideCarbamic acid, N-methyl-, 3-dimethylamino-4-ethylphenyl ester, methiodide
Database identifiers
- CAS
63981-72-6- PubChem CID
- 45995
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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