2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-hexylsulfanyl-2,2-diphenyl-ethanoate iodide

Systemtic Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-hexylsulfanyl-2,2-diphenyl-ethanoate iodide Openeye Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-hexylsulfanyl-2,2-diphenyl-acetate iodide CAS Name: 2-(hexylthio)-2,2-diphenylacetic acid 2-(1-methyl-1-pyrrolidin-1-iumyl)ethyl ester iodide IUPAC Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-hexylsulfanyl-2,2-diphenylacetate iodide Traditional Name: 2-(hexylthio)-2,2-diphenyl-acetic acid 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl ester iodide Formula: C27H38INO2S MolecularWeight: 567.56559

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC[N+]3(CCCC3)C.[I-]

Isomeric SMILES

CCCCCCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC[N+]3(CCCC3)C.[I-]

InChI

InChI=1S/C27H38NO2S.HI/c1-3-4-5-14-23-31-27(24-15-8-6-9-16-24,25-17-10-7-11-18-25)26(29)30-22-21-28(2)19-12-13-20-28;/h6-11,15-18H,3-5,12-14,19-23H2,1-2H3;1H/q+1;/p-1