(4-nitrophenyl)methyl 2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[1-(2-hydroxyethyl)piperazin-1-ium-1-carbonyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[[1-(2-hydroxyethyl)-1-piperazin-1-iumyl]-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[1-(2-hydroxyethyl)piperazin-1-ium-1-carbonyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[1-(2-hydroxyethyl)piperazin-1-ium-1-carbonyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H27N4O6S+ MolecularWeight: 439.50588

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CCO)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C[N+](CCN1)(CCO)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C19H26N4O6S/c24-10-9-23(7-5-20-6-8-23)18(25)17-11-16(30)12-21(17)19(26)29-13-14-1-3-15(4-2-14)22(27)28/h1-4,16-17,20,24H,5-13H2/p+1