5-[(3R)-2,5-bis(oxidanylidene)-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: 5-[(3R)-2,5-bis(oxidanylidene)-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]benzene-1,3-dicarboxylate Openeye Name: 5-[(3R)-2,5-dioxo-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[(3R)-2,5-dioxo-3-(1-piperidin-1-iumyl)-1-pyrrolidinyl]benzene-1,3-dicarboxylate IUPAC Name: 5-[(3R)-2,5-dioxo-3-piperidin-1-ium-1-ylpyrrolidin-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[(3R)-2,5-diketo-3-piperidin-1-ium-1-yl-pyrrolidino]isophthalate Formula: C17H17N2O6- MolecularWeight: 345.32668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@@H]2CC(=O)N(C2=O)C3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H18N2O6/c20-14-9-13(18-4-2-1-3-5-18)15(21)19(14)12-7-10(16(22)23)6-11(8-12)17(24)25/h6-8,13H,1-5,9H2,(H,22,23)(H,24,25)/p-1/t13-/m1/s1