6,7-dimethoxy-2-[1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 6,7-dimethoxy-2-[1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 6,7-dimethoxy-2-[1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium; 2-hydroxy-2-oxo-acetate CAS Name: 6,7-dimethoxy-2-[1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-1,2,3,4-tetrahydroisoquinolin-2-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 6,7-dimethoxy-2-[1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium; 2-hydroxy-2-oxoacetate Traditional Name: 6,7-dimethoxy-2-[1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium dibinoxalate Formula: C26H33N3O10 MolecularWeight: 547.55432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)C3CCC[NH+](C3)CC4=CC=CC=N4)OC.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)C3CCC[NH+](C3)CC4=CC=CC=N4)OC.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C22H29N3O2.2C2H2O4/c1-26-21-12-17-8-11-25(14-18(17)13-22(21)27-2)20-7-5-10-24(16-20)15-19-6-3-4-9-23-19;2*3-1(4)2(5)6/h3-4,6,9,12-13,20H,5,7-8,10-11,14-16H2,1-2H3;2*(H,3,4)(H,5,6)