(4-nitrophenyl)methyl (2S,4S)-1-methanoyl-2-(4-oxidanylpiperidin-1-yl)-4-sulfanyl-pyrrolidin-1-ium-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-1-methanoyl-2-(4-oxidanylpiperidin-1-yl)-4-sulfanyl-pyrrolidin-1-ium-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-1-formyl-2-(4-hydroxy-1-piperidyl)-4-sulfanyl-pyrrolidin-1-ium-1-carboxylate CAS Name: (2S,4S)-1-formyl-2-(4-hydroxy-1-piperidinyl)-4-mercapto-1-pyrrolidin-1-iumcarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-1-formyl-2-(4-hydroxypiperidin-1-yl)-4-sulfanylpyrrolidin-1-ium-1-carboxylate Traditional Name: (2S,4S)-1-formyl-2-(4-hydroxypiperidino)-4-mercapto-pyrrolidin-1-ium-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H24N3O6S+ MolecularWeight: 410.46466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2CC(C[N+]2(C=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1CN(CCC1O)[C@@H]2C[C@@H](C[N+]2(C=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C18H23N3O6S/c22-12-21(10-16(28)9-17(21)19-7-5-15(23)6-8-19)18(24)27-11-13-1-3-14(4-2-13)20(25)26/h1-4,12,15-17,23H,5-11H2/p+1/t16-,17-,21?/m0/s1