tert-butyl 1-oxidanyl-2-(2-propan-2-ylsulfanylethyl)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-oxidanyl-2-(2-propan-2-ylsulfanylethyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-hydroxy-2-(2-isopropylsulfanylethyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 1-hydroxy-2-[2-(propan-2-ylthio)ethyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-hydroxy-2-(2-propan-2-ylsulfanylethyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-hydroxy-2-[2-(isopropylthio)ethyl]pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C14H28NO3S+ MolecularWeight: 290.44202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCC1CCC[N+]1(C(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)SCCC1CCC[N+]1(C(=O)OC(C)(C)C)O

InChI

InChI=1S/C14H28NO3S/c1-11(2)19-10-8-12-7-6-9-15(12,17)13(16)18-14(3,4)5/h11-12,17H,6-10H2,1-5H3/q+1