Basic information
- CAS
63981-56-6- Standard SMILES
CC(C)c1cc(OC(=O)Nc2ccccc2)ccc1[N+](C)(C)C.[I-]- InChIKey
JGEQUFGVEIUYKX-UHFFFAOYSA-N- Molecular formula
- C19H25IN2O2
- Average molar mass
- 440.3 g/mol
- Monoisotopic mass
- 440.09608
Names & identifiers
- Preferred name
- Ammonium, (4-hydroxy-o-cumenyl)trimetnyl-, iodide, phenylcarbamate
- IUPAC
- trimethyl-[4-(phenylcarbamoyloxy)-2-propan-2-ylphenyl]azanium iodide
Names & synonyms
TL-1465Carbamic acid, phenyl-, 4-(trimethylammonio)-m-cumenyl ester, iodideAmmonium, (4-(N-phenylcarbamoyloxy)-o-cumenyl)trimethyl-, iodideAmmonium, (4-hydroxy-o-cumenyl)trimetnyl-, iodide, phenylcarbamateCarbamic acid, N-phenyl-, 3-isopropyl-4-dimethylaminophenyl ester, methiodide63981-56-6RefChem:318924
Database identifiers
- CAS
63981-56-6- PubChem CID
- 45967
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…