Basic information
- CAS
63981-55-5- Standard SMILES
CNC(=O)Oc1ccc([N+](C)(C)C)cc1C(C)C.[I-]- InChIKey
ZJYDUTVMPVUKPR-UHFFFAOYSA-N- Molecular formula
- C14H23IN2O2
- Average molar mass
- 378.25 g/mol
- Monoisotopic mass
- 378.08043
Names & identifiers
- Preferred name
- Ammonium, (4-hydroxy-m-cumenyl)trimethyl-, iodide, methylcarbamate
- IUPAC
- trimethyl-[4-(methylcarbamoyloxy)-3-propan-2-ylphenyl]azanium iodide
Names & synonyms
TL-1322Ammonium, (4-methylcarbamoyloxy-m-tolyl)trimethyl-, iodideCarbamic acid, methyl-, (4-trimethylammonio)-o-cumenyl ester, iodideAMMONIUM, (4-HYDROXY-m-CUMENYL)TRIMETHYL-, IODIDE, METHYLCARBAMATECarbamic acid, N-methyl-, 2-isopropyl-4-dimethylaminophenyl ester, methiodide63981-55-5RefChem:318917
Database identifiers
- CAS
63981-55-5- PubChem CID
- 45965
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- 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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