2-[(2S)-2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl]oxyethyl-triethyl-azanium iodide

Systemtic Name: 2-[(2S)-2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl]oxyethyl-triethyl-azanium iodide Openeye Name: 2-[(2S)-2-cyclohexyl-2-hydroxy-2-phenyl-acetyl]oxyethyl-triethyl-ammonium iodide CAS Name: 2-[(2S)-2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy]ethyl-triethylammonium iodide IUPAC Name: 2-[(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetyl]oxyethyl-triethylazanium iodide Traditional Name: 2-[(2S)-2-cyclohexyl-2-hydroxy-2-phenyl-acetyl]oxyethyl-triethyl-ammonium iodide Formula: C22H36INO3 MolecularWeight: 489.43061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36NO3.HI/c1-4-23(5-2,6-3)17-18-26-21(24)22(25,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7,9-10,13-14,20,25H,4-6,8,11-12,15-18H2,1-3H3;1H/q+1;/p-1/t22-;/m1./s1