Basic information
- CAS
63981-68-0- Standard SMILES
CCc1ccc([N+](C)(C)C)c(OC(=O)N(C)C)c1.[I-]- InChIKey
OVSKYGPDVIGVSI-UHFFFAOYSA-M- Molecular formula
- C14H23IN2O2
- Average molar mass
- 378.25 g/mol
- Monoisotopic mass
- 378.08043
Names & identifiers
- Preferred name
- Ammonium, ((2-hydroxy-4-ethyl)phenyl)trimethyl-, iodide, dimethylcarbamate
- IUPAC
- [2-(dimethylcarbamoyloxy)-4-ethylphenyl]-trimethylazanium iodide
Names & synonyms
SB-1663981-68-0Carbamic acid, dimethyl-, (4-ethyl-2-(trimethylammonio)phenyl) ester, iodideAmmonium, (2-(dimethylcarbamoyloxy)-5-ethylphenyl)trimethyl-, iodideCarbamic acid, N,N-dimethyl-, 2-dimethylamino-4-ethylphenyl ester, methiodideAMMONIUM, ((2-HYDROXY-4-ETHYL)PHENYL)TRIMETHYL-, IODIDE, DIMETHYLCARBAMATERefChem:318620SCHEMBL29384611DTXSID109816342-[(dimethylcarbamoyl)oxy]-4-ethyl-N,N,N-trimethylanilinium iodide
Database identifiers
- CAS
63981-68-0- PubChem CID
- 45987
- DTXSID
DTXSID10981634
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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