Basic information
- CAS
63981-63-5- Standard SMILES
CNC(=O)Oc1c(C(C)C)cc([N+](C)(C)C)cc1C(C)C.[I-]- InChIKey
VWTFDQQVWGOCLS-UHFFFAOYSA-N- Molecular formula
- C17H29IN2O2
- Average molar mass
- 420.3 g/mol
- Monoisotopic mass
- 420.12738
Names & identifiers
- Preferred name
- Ammonium, ((4-hydroxy-3,5-diisopropyl)phenyl)trimethyl-, iodide, methylcarbamate
- IUPAC
- trimethyl-[4-(methylcarbamoyloxy)-3,5-di(propan-2-yl)phenyl]azanium iodide
Names & synonyms
TL-1451Carbamic acid, methyl-, (2,6-diisopropyl-4-trimethylammonio)phenyl ester, iodideAMMONIUM, ((4-HYDROXY-3,5-DIISOPROPYL)PHENYL)TRIMETHYL-, IODIDE, METHYLCARBAMATEAmmonium, ((3,5-diisopropyl-4-methylcarbamoyloxy)phenyl)trimethyl-, iodideCarbamic acid, N-methyl-, 2,6-diisopropyl-4-dimethylaminophenyl ester, methiodide63981-63-5RefChem:318651
Database identifiers
- CAS
63981-63-5- PubChem CID
- 45979
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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