diethyl-[2-(2-hexylsulfanyl-2,2-diphenyl-ethanoyl)oxyethyl]-methyl-azanium iodide

Systemtic Name: diethyl-[2-(2-hexylsulfanyl-2,2-diphenyl-ethanoyl)oxyethyl]-methyl-azanium iodide Openeye Name: diethyl-[2-(2-hexylsulfanyl-2,2-diphenyl-acetyl)oxyethyl]-methyl-ammonium iodide CAS Name: diethyl-[2-[2-(hexylthio)-1-oxo-2,2-diphenylethoxy]ethyl]-methylammonium iodide IUPAC Name: diethyl-[2-(2-hexylsulfanyl-2,2-diphenylacetyl)oxyethyl]-methylazanium iodide Traditional Name: diethyl-[2-[2-(hexylthio)-2,2-diphenyl-acetyl]oxyethyl]-methyl-ammonium iodide Formula: C27H40INO2S MolecularWeight: 569.58147

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC[N+](C)(CC)CC.[I-]

Isomeric SMILES

CCCCCCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC[N+](C)(CC)CC.[I-]

InChI

InChI=1S/C27H40NO2S.HI/c1-5-8-9-16-23-31-27(24-17-12-10-13-18-24,25-19-14-11-15-20-25)26(29)30-22-21-28(4,6-2)7-3;/h10-15,17-20H,5-9,16,21-23H2,1-4H3;1H/q+1;/p-1