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

Systemtic Name: bis[(4-nitrophenyl)methyl] 4-oxidanyl-4-pyrrolidin-1-yl-piperidin-1-ium-1,1-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 4-hydroxy-4-pyrrolidin-1-yl-piperidin-1-ium-1,1-dicarboxylate CAS Name: 4-hydroxy-4-(1-pyrrolidinyl)piperidin-1-ium-1,1-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 4-hydroxy-4-pyrrolidin-1-ylpiperidin-1-ium-1,1-dicarboxylate Traditional Name: 4-hydroxy-4-pyrrolidino-piperidin-1-ium-1,1-dicarboxylic acid bis(4-nitrobenzyl) ester Formula: C25H29N4O9+ MolecularWeight: 529.51916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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

C1CCN(C1)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/C25H29N4O9/c30-23(37-17-19-3-7-21(8-4-19)27(33)34)29(15-11-25(32,12-16-29)26-13-1-2-14-26)24(31)38-18-20-5-9-22(10-6-20)28(35)36/h3-10,32H,1-2,11-18H2/q+1