(phenylmethyl) 2-[1-oxidanyl-2-[2-(phenylsulfinyl)ethyl]pyrrolidin-1-ium-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[1-oxidanyl-2-[2-(phenylsulfinyl)ethyl]pyrrolidin-1-ium-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: benzyl 2-[2-[2-(benzenesulfinyl)ethyl]-1-hydroxy-pyrrolidin-1-ium-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[2-[2-(benzenesulfinyl)ethyl]-1-hydroxy-1-pyrrolidin-1-iumyl]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[2-(benzenesulfinyl)ethyl]-1-hydroxypyrrolidin-1-ium-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-[2-(benzenesulfinyl)ethyl]-1-hydroxy-pyrrolidin-1-ium-1-carbonyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C25H31N2O5S+ MolecularWeight: 471.58904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)[N+]3(CCCC3CCS(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)[N+]3(CCCC3CCS(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C25H31N2O5S/c28-24(23-14-7-16-26(23)25(29)32-19-20-9-3-1-4-10-20)27(30)17-8-11-21(27)15-18-33(31)22-12-5-2-6-13-22/h1-6,9-10,12-13,21,23,30H,7-8,11,14-19H2/q+1