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

Systemtic Name: bis[(4-nitrophenyl)methyl] 4-methylsulfonyloxy-4-pyrrolidin-1-yl-piperidin-1-ium-1,1-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 4-methylsulfonyloxy-4-pyrrolidin-1-yl-piperidin-1-ium-1,1-dicarboxylate CAS Name: 4-methylsulfonyloxy-4-(1-pyrrolidinyl)piperidin-1-ium-1,1-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 4-methylsulfonyloxy-4-pyrrolidin-1-ylpiperidin-1-ium-1,1-dicarboxylate Traditional Name: 4-methylsulfonyloxy-4-pyrrolidino-piperidin-1-ium-1,1-dicarboxylic acid bis(4-nitrobenzyl) ester Formula: C26H31N4O11S+ MolecularWeight: 607.60954

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1(CC[N+](CC1)(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CS(=O)(=O)OC1(CC[N+](CC1)(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C26H31N4O11S/c1-42(37,38)41-26(27-14-2-3-15-27)12-16-30(17-13-26,24(31)39-18-20-4-8-22(9-5-20)28(33)34)25(32)40-19-21-6-10-23(11-7-21)29(35)36/h4-11H,2-3,12-19H2,1H3/q+1