Basic information
- CAS
3486-39-3- Standard SMILES
CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.[I-]- InChIKey
VEBLNCKGXHQPRK-UHFFFAOYSA-M- Molecular formula
- C21H34INO3
- Average molar mass
- 475.4 g/mol
- Monoisotopic mass
- 475.15834
Names & identifiers
- Preferred name
- 2-((Cyclohexyl(hydroxy)phenylacetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide
- IUPAC
- 2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazanium iodide
Names & synonyms
3486-39-3DTXSID109563472-((Cyclohexyl(hydroxy)phenylacetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide2-{[Cyclohexyl(hydroxy)phenylacetyl]oxy}-N,N-diethyl-N-methylethan-1-aminium iodideRefChem:1060565DTXCID601384314(-)-Diethyl(2-hydroxyethyl)methylammonium iodide alpha-phenylcyclohexaneglycolateNIOSH/BP7651400BP76514000(+-)-Diethyl(2-hydroxyethyl)methylammonium iodide alpha-phenylcyclohexaneglycolateAmmonium, diethyl(2-hydroxyethyl)methyl-, iodide, alpha-phenylcyclohexaneglycolate, (+-)-Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, alpha-phenylcyclohexaneglycolate, (-)-
Show more names
2-{[Cyclohexyl(hydroxy)(phenyl)acetyl]oxy}-N,N-diethyl-N-methylethan-1-aminium iodide
Database identifiers
- CAS
3486-39-3- PubChem CID
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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