Basic information
- CAS
63981-71-5- Standard SMILES
CCc1cc(OC(=O)NC)ccc1[N+](C)(C)C.[I-]- InChIKey
XCAJXHSUYQHSTK-UHFFFAOYSA-N- Molecular formula
- C13H21IN2O2
- Average molar mass
- 364.22 g/mol
- Monoisotopic mass
- 364.06478
Names & identifiers
- Preferred name
- Ammonium, ((4-hydroxy-2-ethyl)phenyl)trimethyl-, iodide, methylcarbamate
- IUPAC
- [2-ethyl-4-(methylcarbamoyloxy)phenyl]-trimethylazanium iodide
Names & synonyms
TL-1467Ammonium, ((2-ethyl-4-methylcarbamoyloxy)phenyl)trimethyl-, iodideCarbamic acid, methyl-, (3-ethyl-4-trimethylammonio)phenyl ester, iodideCarbamic acid, N-methyl-, 3-ethyl-4-dimethylaminophenyl ester, methiodideAMMONIUM, ((4-HYDROXY-2-ETHYL)PHENYL)TRIMETHYL-, IODIDE, METHYLCARBAMATE63981-71-5RefChem:318645
Database identifiers
- CAS
63981-71-5- PubChem CID
- 45993
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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