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

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; piperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 2-hydroxy-2-oxo-acetate; 1-piperidyl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 2-hydroxy-2-oxoacetate; 1-piperidinyl-[1-[(2,4,5-trimethoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 2-hydroxy-2-oxoacetate; piperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: piperidino-[1-(2,4,5-trimethoxybenzyl)piperidin-1-ium-3-yl]methanone binoxalate Formula: C23H34N2O8 MolecularWeight: 466.52466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCCC(C2)C(=O)N3CCCCC3)OC)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCCC(C2)C(=O)N3CCCCC3)OC)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H32N2O4.C2H2O4/c1-25-18-13-20(27-3)19(26-2)12-17(18)15-22-9-7-8-16(14-22)21(24)23-10-5-4-6-11-23;3-1(4)2(5)6/h12-13,16H,4-11,14-15H2,1-3H3;(H,3,4)(H,5,6)