1-[(2,5-dimethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(2-pyridylmethyl)piperazin-1-ium; 2-hydroxy-2-oxo-acetate CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(2-pyridinylmethyl)piperazin-1-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-1-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-(2,5-dimethoxybenzyl)-4-(2-pyridylmethyl)piperazin-1-ium binoxalate Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)CC3=CC=CC=N3.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)CC3=CC=CC=N3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H25N3O2.C2H2O4/c1-23-18-6-7-19(24-2)16(13-18)14-21-9-11-22(12-10-21)15-17-5-3-4-8-20-17;3-1(4)2(5)6/h3-8,13H,9-12,14-15H2,1-2H3;(H,3,4)(H,5,6)