Basic information
- CAS
31339-08-9- Standard SMILES
CC[N+](C)(CC)CCOC(=O)COc1cc(C)ccc1C(C)C.[I-]- InChIKey
WOICKCABITZXPI-UHFFFAOYSA-M- Molecular formula
- C19H32INO3
- Average molar mass
- 449.4 g/mol
- Monoisotopic mass
- 449.14269
Names & identifiers
- Preferred name
- Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, (thymyloxy)acetate
- IUPAC
- diethyl-methyl-[2-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxyethyl]azanium iodide
Names & synonyms
T 2439Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, (thymyloxy)acetate31339-08-9RefChem:319226DTXSID60953381N,N-Diethyl-N-methyl-2-({[5-methyl-2-(propan-2-yl)phenoxy]acetyl}oxy)ethan-1-aminium iodide
Database identifiers
- CAS
31339-08-9- PubChem CID
- 207992
- DTXSID
DTXSID60953381
Properties
Computed structural properties
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…