Basic information
- CAS
101710-54-7- Standard SMILES
CN(C)C(=O)Oc1cc(CC(C)(C)C)ccc1[N+](C)(C)C.[I-]- InChIKey
BDKFYEGXJFVKET-UHFFFAOYSA-M- Molecular formula
- C17H29IN2O2
- Average molar mass
- 420.3 g/mol
- Monoisotopic mass
- 420.12738
Names & identifiers
- Preferred name
- Ammonium, (2-hydroxy-5-tert-pentylphenyl)trimethyl-, iodide, dimethylcarbamate (ester)
- IUPAC
- [2-(dimethylcarbamoyloxy)-4-(2,2-dimethylpropyl)phenyl]-trimethylazanium iodide
Names & synonyms
101710-54-7(2-Hydroxy-5-tert-pentylphenyl)trimethylammonium iodide dimethylcarbamateAmmonium, (2-hydroxy-5-tert-pentylphenyl)trimethyl-, iodide, dimethylcarbamate (ester)RefChem:318796DTXSID009065182-[(Dimethylcarbamoyl)oxy]-4-(2,2-dimethylpropyl)-N,N,N-trimethylanilinium iodide
Database identifiers
- CAS
101710-54-7- PubChem CID
- 58742
- DTXSID
DTXSID00906518
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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