5-[(3S)-3-(4-methylpiperidin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: 5-[(3S)-3-(4-methylpiperidin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,3-dicarboxylate Openeye Name: 5-[(3S)-3-(4-methylpiperidin-1-ium-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[(3S)-3-(4-methyl-1-piperidin-1-iumyl)-2,5-dioxo-1-pyrrolidinyl]benzene-1,3-dicarboxylate IUPAC Name: 5-[(3S)-3-(4-methylpiperidin-1-ium-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[(3S)-2,5-diketo-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidino]isophthalate Formula: C18H19N2O6- MolecularWeight: 359.35326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H20N2O6/c1-10-2-4-19(5-3-10)14-9-15(21)20(16(14)22)13-7-11(17(23)24)6-12(8-13)18(25)26/h6-8,10,14H,2-5,9H2,1H3,(H,23,24)(H,25,26)/p-1/t14-/m0/s1