Basic information
- CAS
66902-93-0- Standard SMILES
CC[N+](C)(CC)CCOC(=O)C1(c2ccccc2)CCCCC1.[I-]- InChIKey
FHRDEGYTQANVGL-UHFFFAOYSA-M- Molecular formula
- C20H32INO2
- Average molar mass
- 445.4 g/mol
- Monoisotopic mass
- 445.14778
Names & identifiers
- Preferred name
- Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 1-phenylcyclohexanecarboxylate (ester)
- IUPAC
- diethyl-methyl-[2-(1-phenylcyclohexanecarbonyl)oxyethyl]azanium iodide
Names & synonyms
1-Phenylcyclohexanecarboxylic acid 2-(diethylamino)ethyl ester methiodideDiethyl(2-hydroxyethyl)methylammonium iodide 1-phenylcyclohexanecarboxylate (ester)66902-93-0Cyclohexanecarboxylic acid, 1-phenyl-, 2-(diethylamino)ethyl ester, methiodideAmmonium, diethyl(2-hydroxyethyl)methyl-, iodide, 1-phenylcyclohexanecarboxylate (ester)RefChem:319227DTXSID80985563N,N-Diethyl-N-methyl-2-[(1-phenylcyclohexane-1-carbonyl)oxy]ethan-1-aminium iodide
Database identifiers
- CAS
66902-93-0- PubChem CID
- 48327
- DTXSID
DTXSID80985563
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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