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

Systemtic Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-butylsulfanyl-2,2-diphenyl-ethanoate iodide Openeye Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-butylsulfanyl-2,2-diphenyl-acetate iodide CAS Name: 2-(butylthio)-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-butylsulfanyl-2,2-diphenylacetate iodide Traditional Name: 2-(butylthio)-2,2-diphenyl-acetic acid 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl ester iodide Formula: C25H34INO2S MolecularWeight: 539.51243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34NO2S.HI/c1-3-4-21-29-25(22-13-7-5-8-14-22,23-15-9-6-10-16-23)24(27)28-20-19-26(2)17-11-12-18-26;/h5-10,13-16H,3-4,11-12,17-21H2,1-2H3;1H/q+1;/p-1