tert-butyl 2-[2-(4-nitrophenyl)sulfanylethyl]-1-oxidanyl-pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 2-[2-(4-nitrophenyl)sulfanylethyl]-1-oxidanyl-pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-hydroxy-2-[2-(4-nitrophenyl)sulfanylethyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 1-hydroxy-2-[2-[(4-nitrophenyl)thio]ethyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-hydroxy-2-[2-(4-nitrophenyl)sulfanylethyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-hydroxy-2-[2-[(4-nitrophenyl)thio]ethyl]pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C17H25N2O5S+ MolecularWeight: 369.4558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N2O5S/c1-17(2,3)24-16(20)19(23)11-4-5-14(19)10-12-25-15-8-6-13(7-9-15)18(21)22/h6-9,14,23H,4-5,10-12H2,1-3H3/q+1