(4-nitrophenyl)methyl (2S,4S)-1-methanoyl-2-(3-methylpiperidin-1-yl)-4-sulfanyl-pyrrolidin-1-ium-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-1-methanoyl-2-(3-methylpiperidin-1-yl)-4-sulfanyl-pyrrolidin-1-ium-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-1-formyl-2-(3-methyl-1-piperidyl)-4-sulfanyl-pyrrolidin-1-ium-1-carboxylate CAS Name: (2S,4S)-1-formyl-4-mercapto-2-(3-methyl-1-piperidinyl)-1-pyrrolidin-1-iumcarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-1-formyl-2-(3-methylpiperidin-1-yl)-4-sulfanylpyrrolidin-1-ium-1-carboxylate Traditional Name: (2S,4S)-1-formyl-4-mercapto-2-(3-methylpiperidino)pyrrolidin-1-ium-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H26N3O5S+ MolecularWeight: 408.49184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2CC(C[N+]2(C=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CC1CCCN(C1)[C@@H]2C[C@@H](C[N+]2(C=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C19H25N3O5S/c1-14-3-2-8-20(10-14)18-9-17(28)11-22(18,13-23)19(24)27-12-15-4-6-16(7-5-15)21(25)26/h4-7,13-14,17-18H,2-3,8-12H2,1H3/p+1/t14?,17-,18-,22?/m0/s1