bis[(4-nitrophenyl)methyl] 4-ethanoylsulfanyl-4-[1-(hydroxymethyl)pyrrolidin-2-yl]piperidin-1-ium-1,1-dicarboxylate

Systemtic Name: bis[(4-nitrophenyl)methyl] 4-ethanoylsulfanyl-4-[1-(hydroxymethyl)pyrrolidin-2-yl]piperidin-1-ium-1,1-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 4-acetylsulfanyl-4-[1-(hydroxymethyl)pyrrolidin-2-yl]piperidin-1-ium-1,1-dicarboxylate CAS Name: 4-(acetylthio)-4-[1-(hydroxymethyl)-2-pyrrolidinyl]piperidin-1-ium-1,1-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 4-acetylsulfanyl-4-[1-(hydroxymethyl)pyrrolidin-2-yl]piperidin-1-ium-1,1-dicarboxylate Traditional Name: 4-(acetylthio)-4-(1-methylolpyrrolidin-2-yl)piperidin-1-ium-1,1-dicarboxylic acid bis(4-nitrobenzyl) ester Formula: C28H33N4O10S+ MolecularWeight: 617.64742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1(CC[N+](CC1)(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4CCCN4CO

Isomeric SMILES

CC(=O)SC1(CC[N+](CC1)(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4CCCN4CO

InChI

InChI=1S/C28H33N4O10S/c1-20(34)43-28(25-3-2-14-29(25)19-33)12-15-32(16-13-28,26(35)41-17-21-4-8-23(9-5-21)30(37)38)27(36)42-18-22-6-10-24(11-7-22)31(39)40/h4-11,25,33H,2-3,12-19H2,1H3/q+1