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

Systemtic Name: 5-[(3R)-2,5-bis(oxidanylidene)-3-pyrrolidin-1-ium-1-yl-pyrrolidin-1-yl]benzene-1,3-dicarboxylate Openeye Name: 5-[(3R)-2,5-dioxo-3-pyrrolidin-1-ium-1-yl-pyrrolidin-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[(3R)-2,5-dioxo-3-(1-pyrrolidin-1-iumyl)-1-pyrrolidinyl]benzene-1,3-dicarboxylate IUPAC Name: 5-[(3R)-2,5-dioxo-3-pyrrolidin-1-ium-1-ylpyrrolidin-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[(3R)-2,5-diketo-3-pyrrolidin-1-ium-1-yl-pyrrolidino]isophthalate Formula: C16H15N2O6- MolecularWeight: 331.3001

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CC(=O)N(C2=O)C3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)[C@@H]2CC(=O)N(C2=O)C3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H16N2O6/c19-13-8-12(17-3-1-2-4-17)14(20)18(13)11-6-9(15(21)22)5-10(7-11)16(23)24/h5-7,12H,1-4,8H2,(H,21,22)(H,23,24)/p-1/t12-/m1/s1