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

Systemtic Name: bis[(4-nitrophenyl)methyl] 4-pyrrolidin-1-yl-4-sulfanyl-piperidin-1-ium-1,1-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 4-pyrrolidin-1-yl-4-sulfanyl-piperidin-1-ium-1,1-dicarboxylate CAS Name: 4-mercapto-4-(1-pyrrolidinyl)piperidin-1-ium-1,1-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 4-pyrrolidin-1-yl-4-sulfanylpiperidin-1-ium-1,1-dicarboxylate Traditional Name: 4-mercapto-4-pyrrolidino-piperidin-1-ium-1,1-dicarboxylic acid bis(4-nitrobenzyl) ester Formula: C25H29N4O8S+ MolecularWeight: 545.58476

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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-])S

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-])S

InChI

InChI=1S/C25H28N4O8S/c30-23(36-17-19-3-7-21(8-4-19)27(32)33)29(15-11-25(38,12-16-29)26-13-1-2-14-26)24(31)37-18-20-5-9-22(10-6-20)28(34)35/h3-10H,1-2,11-18H2/p+1