(2,3-dimethoxyphenyl)-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: (2,3-dimethoxyphenyl)-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: (2,3-dimethoxyphenyl)-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone; 2-hydroxy-2-oxo-acetate CAS Name: (2,3-dimethoxyphenyl)-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methanone; 2-hydroxy-2-oxoacetate IUPAC Name: (2,3-dimethoxyphenyl)-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone; 2-hydroxy-2-oxoacetate Traditional Name: (2,3-dimethoxyphenyl)-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone binoxalate Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(=O)N2CC[NH+](CC2)CC3=CC=CC=N3.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)N2CC[NH+](CC2)CC3=CC=CC=N3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H23N3O3.C2H2O4/c1-24-17-8-5-7-16(18(17)25-2)19(23)22-12-10-21(11-13-22)14-15-6-3-4-9-20-15;3-1(4)2(5)6/h3-9H,10-14H2,1-2H3;(H,3,4)(H,5,6)