2-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxyethyl-diethyl-methyl-azanium iodide

Systemtic Name: 2-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxyethyl-diethyl-methyl-azanium iodide Openeye Name: 2-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxyethyl-diethyl-methyl-ammonium iodide CAS Name: 2-(2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy)ethyl-diethyl-methylammonium iodide IUPAC Name: 2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazanium iodide Traditional Name: 2-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxyethyl-diethyl-methyl-ammonium iodide Formula: C21H34INO3 MolecularWeight: 474.404764

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[I-]

Isomeric SMILES

CC[N+]([11CH3])(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[I-]

InChI

InChI=1S/C21H34NO3.HI/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3;1H/q+1;/p-1/i3-1;