Basic information
- CAS
32305-38-7- Standard SMILES
CC[N+](C)(CC)CCCOC(=O)COc1cc(C)ccc1C(C)C.[I-]- InChIKey
RFDGTOLGNVEJPO-UHFFFAOYSA-M- Molecular formula
- C20H34INO3
- Average molar mass
- 463.4 g/mol
- Monoisotopic mass
- 463.15834
Names & identifiers
- Preferred name
- Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, (thymyloxy)acetate
- IUPAC
- diethyl-methyl-[3-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxypropyl]azanium iodide
Names & synonyms
T 243432305-38-7Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, (thymyloxy)acetateRefChem:319247n,n-diethyl-n-methyl-3-({[5-methyl-2-(propan-2-yl)phenoxy]acetyl}oxy)propan-1-aminium iodideDTXSID30954103
Database identifiers
- CAS
32305-38-7- PubChem CID
- 208488
- DTXSID
DTXSID30954103
Properties
Computed structural properties
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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