bis[(4-nitrophenyl)methyl] 3-[1-(hydroxymethyl)pyrrolidin-2-yl]-4-oxidanyl-piperidin-1-ium-1,1-dicarboxylate

Systemtic Name: bis[(4-nitrophenyl)methyl] 3-[1-(hydroxymethyl)pyrrolidin-2-yl]-4-oxidanyl-piperidin-1-ium-1,1-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 4-hydroxy-3-[1-(hydroxymethyl)pyrrolidin-2-yl]piperidin-1-ium-1,1-dicarboxylate CAS Name: 4-hydroxy-3-[1-(hydroxymethyl)-2-pyrrolidinyl]piperidin-1-ium-1,1-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 4-hydroxy-3-[1-(hydroxymethyl)pyrrolidin-2-yl]piperidin-1-ium-1,1-dicarboxylate Traditional Name: 4-hydroxy-3-(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)C2C[N+](CCC2O)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(N(C1)CO)C2C[N+](CCC2O)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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