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

Systemtic Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-pentylsulfanyl-2,2-diphenyl-ethanoate Openeye Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-pentylsulfanyl-2,2-diphenyl-acetate CAS Name: 2-(pentylthio)-2,2-diphenylacetic acid 2-(1-methyl-1-pyrrolidin-1-iumyl)ethyl ester IUPAC Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-pentylsulfanyl-2,2-diphenylacetate Traditional Name: 2-(amylthio)-2,2-diphenyl-acetic acid 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl ester Formula: C26H36NO2S+ MolecularWeight: 426.63454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC[N+]3(CCCC3)C

Isomeric SMILES

CCCCCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC[N+]3(CCCC3)C

InChI

InChI=1S/C26H36NO2S/c1-3-4-13-22-30-26(23-14-7-5-8-15-23,24-16-9-6-10-17-24)25(28)29-21-20-27(2)18-11-12-19-27/h5-10,14-17H,3-4,11-13,18-22H2,1-2H3/q+1