2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide

HCID 19006

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Basic information

CAS: 3486-38-2
Standard SMILES: CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1.[I-]
InChIKey: QJOWGAHHRDLCBC-UHFFFAOYSA-M
Molecular formula: C21H34INO2
Average molar mass: 459.4 g/mol
Monoisotopic mass: 459.16343

Names & identifiers

Preferred name: 2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide
IUPAC: 2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-diethyl-methylazanium iodide

Names & synonyms

3486-38-2DTXSID509563462-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide2-{[Cyclohexyl(phenyl)acetyl]oxy}-N,N-diethyl-N-methylethan-1-aminium iodideRefChem:1060566DTXCID901384313(+)-Diethyl(2-hydroxyethyl)methylammonium iodide alpha-phenylcyclohexaneglycolateNIOSH/BP7649700BP76497000(+)-Diethyl(2-hydroxyethyl)methylammonium iodide alpha-phenylcyclohexaneacetateAmmonium, diethyl(2-hydroxyethyl)methyl-, iodide, alpha-phenylcyclohexaneacetate, (+)-(-)-Diethyl(2-hydroxyethyl)methylammonium iodide alpha-phenylcyclohexaneacetate

Show more names

Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, alpha-phenylcyclohexaneacetate, (-)-Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, alpha-phenylcyclohexaneglycolate, (+)-Ethanaminium, 2-((cyclohexylhydroxyphenylacetyl)oxy)-N,N-diethyl-N-methyl-, iodide, (-)-3599-43-7NIOSH/BP7649800BP76498000(+-)-Diethyl(2-hydroxyethyl)methylammonium iodide alpha-phenylcyclohexaneacetateAmmonium, diethyl(2-hydroxyethyl)methyl-, iodide, alpha-phenylcyclohexaneacetate, (+-)-

Database identifiers

Properties

Computed structural properties

Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 9
Heavy atoms: 25
Formal charge: 0
Complexity: 366

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