tert-butyl 1-oxidanyl-2-(2-phenylsulfanylethyl)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-oxidanyl-2-(2-phenylsulfanylethyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-hydroxy-2-(2-phenylsulfanylethyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 1-hydroxy-2-[2-(phenylthio)ethyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-hydroxy-2-(2-phenylsulfanylethyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-hydroxy-2-[2-(phenylthio)ethyl]pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C17H26NO3S+ MolecularWeight: 324.45824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC1CCSC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC1CCSC2=CC=CC=C2)O

InChI

InChI=1S/C17H26NO3S/c1-17(2,3)21-16(19)18(20)12-7-8-14(18)11-13-22-15-9-5-4-6-10-15/h4-6,9-10,14,20H,7-8,11-13H2,1-3H3/q+1