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

Systemtic Name: 2-(2-cyclohexyl-2-ethylsulfanyl-2-phenyl-ethanoyl)oxyethyl-diethyl-methyl-azanium iodide Openeye Name: 2-(2-cyclohexyl-2-ethylsulfanyl-2-phenyl-acetyl)oxyethyl-diethyl-methyl-ammonium iodide CAS Name: 2-[2-cyclohexyl-2-(ethylthio)-1-oxo-2-phenylethoxy]ethyl-diethyl-methylammonium iodide IUPAC Name: 2-(2-cyclohexyl-2-ethylsulfanyl-2-phenylacetyl)oxyethyl-diethyl-methylazanium iodide Traditional Name: 2-[2-cyclohexyl-2-(ethylthio)-2-phenyl-acetyl]oxyethyl-diethyl-methyl-ammonium iodide Formula: C23H38INO2S MolecularWeight: 519.52279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38NO2S.HI/c1-5-24(4,6-2)18-19-26-22(25)23(27-7-3,20-14-10-8-11-15-20)21-16-12-9-13-17-21;/h8,10-11,14-15,21H,5-7,9,12-13,16-19H2,1-4H3;1H/q+1;/p-1