2-oxidanyl-2-oxidanylidene-ethanoate; pyrrolidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; pyrrolidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 2-hydroxy-2-oxo-acetate; pyrrolidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 2-hydroxy-2-oxoacetate; 1-pyrrolidinyl-[1-[(2,4,5-trimethoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 2-hydroxy-2-oxoacetate; pyrrolidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: pyrrolidino-[1-(2,4,5-trimethoxybenzyl)piperidin-1-ium-3-yl]methanone binoxalate Formula: C22H32N2O8 MolecularWeight: 452.49808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCCC(C2)C(=O)N3CCCC3)OC)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCCC(C2)C(=O)N3CCCC3)OC)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H30N2O4.C2H2O4/c1-24-17-12-19(26-3)18(25-2)11-16(17)14-21-8-6-7-15(13-21)20(23)22-9-4-5-10-22;3-1(4)2(5)6/h11-12,15H,4-10,13-14H2,1-3H3;(H,3,4)(H,5,6)