(phenylmethyl) 2-[2-[2-(4-nitrophenyl)sulfanylethyl]-1-oxidanyl-pyrrolidin-1-ium-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-[2-(4-nitrophenyl)sulfanylethyl]-1-oxidanyl-pyrrolidin-1-ium-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: benzyl 2-[1-hydroxy-2-[2-(4-nitrophenyl)sulfanylethyl]pyrrolidin-1-ium-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[1-hydroxy-2-[2-[(4-nitrophenyl)thio]ethyl]-1-pyrrolidin-1-iumyl]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-hydroxy-2-[2-(4-nitrophenyl)sulfanylethyl]pyrrolidin-1-ium-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[1-hydroxy-2-[2-[(4-nitrophenyl)thio]ethyl]pyrrolidin-1-ium-1-carbonyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C25H30N3O6S+ MolecularWeight: 500.5872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)[N+]3(CCCC3CCSC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)[N+]3(CCCC3CCSC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C25H30N3O6S/c29-24(23-9-4-15-26(23)25(30)34-18-19-6-2-1-3-7-19)28(33)16-5-8-21(28)14-17-35-22-12-10-20(11-13-22)27(31)32/h1-3,6-7,10-13,21,23,33H,4-5,8-9,14-18H2/q+1