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

Systemtic Name: bis[(4-nitrophenyl)methyl] 4-[1-(hydroxymethyl)pyrrolidin-2-yl]-4-oxidanyl-piperidin-1-ium-1,1-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 4-hydroxy-4-[1-(hydroxymethyl)pyrrolidin-2-yl]piperidin-1-ium-1,1-dicarboxylate CAS Name: 4-hydroxy-4-[1-(hydroxymethyl)-2-pyrrolidinyl]piperidin-1-ium-1,1-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 4-hydroxy-4-[1-(hydroxymethyl)pyrrolidin-2-yl]piperidin-1-ium-1,1-dicarboxylate Traditional Name: 4-hydroxy-4-(1-methylolpyrrolidin-2-yl)piperidin-1-ium-1,1-dicarboxylic acid bis(4-nitrobenzyl) ester Formula: C26H31N4O10+ MolecularWeight: 559.54514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CO)C2(CC[N+](CC2)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CC(N(C1)CO)C2(CC[N+](CC2)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C26H31N4O10/c31-18-27-13-1-2-23(27)26(34)11-14-30(15-12-26,24(32)39-16-19-3-7-21(8-4-19)28(35)36)25(33)40-17-20-5-9-22(10-6-20)29(37)38/h3-10,23,31,34H,1-2,11-18H2/q+1