(4-nitrophenyl)methyl 2-ethyl-1-oxidanyl-4-sulfanyl-pyrrolidin-1-ium-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-ethyl-1-oxidanyl-4-sulfanyl-pyrrolidin-1-ium-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-ethyl-1-hydroxy-4-sulfanyl-pyrrolidin-1-ium-1-carboxylate CAS Name: 2-ethyl-1-hydroxy-4-mercapto-1-pyrrolidin-1-iumcarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-ethyl-1-hydroxy-4-sulfanylpyrrolidin-1-ium-1-carboxylate Traditional Name: 2-ethyl-1-hydroxy-4-mercapto-pyrrolidin-1-ium-1-carboxylic acid (4-nitrobenzyl) ester Formula: C14H19N2O5S+ MolecularWeight: 327.37606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C[N+]1(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)S

Isomeric SMILES

CCC1CC(C[N+]1(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)S

InChI

InChI=1S/C14H18N2O5S/c1-2-12-7-13(22)8-16(12,20)14(17)21-9-10-3-5-11(6-4-10)15(18)19/h3-6,12-13,20H,2,7-9H2,1H3/p+1