Basic information
- CAS
18659-39-7- Standard SMILES
CNC(=O)Oc1cc(C(C)C)cc([N+](C)(C)C)c1.[I-]- InChIKey
VLKKIGVQMLSFCX-UHFFFAOYSA-N- Molecular formula
- C14H23IN2O2
- Average molar mass
- 378.25 g/mol
- Monoisotopic mass
- 378.08043
Names & identifiers
- Preferred name
- Ammonium, (3-hydroxy-m-cumenyl)trimethyl-, iodide, methylcarbamate
- IUPAC
- trimethyl-[3-(methylcarbamoyloxy)-5-propan-2-ylphenyl]azanium iodide
Names & synonyms
18659-39-7TL-1523Carbamic acid, methyl-, (3-trimethylammonio-m-cumenyl) ester, iodideAmmonium, (3-methylcarbamoyloxy-m-cumenyl)trimethyl-, iodideAmmonium, (3-hydroxy-m-cumenyl)trimethyl-, iodide, methylcarbamateCarbamic acid, N-methyl-, 3-isopropyl-5-dimethylaminophenyl ester, methiodideRefChem:318860trimethyl-[3-(methylcarbamoyloxy)-5-propan-2-ylphenyl]azanium;iodideTRIMETHYL-[3-(METHYLCARBAMOYLOXY)-5-PROPAN-2-YL-PHENYL]AZANIUM IODIDE
Database identifiers
- CAS
18659-39-7- PubChem CID
- 87743
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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