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

Systemtic Name: 4-[[3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-ium-1-yl]methyl]quinoline; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 4-[[3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-ium-1-yl]methyl]quinoline; 2-hydroxy-2-oxo-acetate CAS Name: 4-[[3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-piperidin-1-iumyl]methyl]quinoline; 2-hydroxy-2-oxoacetate IUPAC Name: 4-[[3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-ium-1-yl]methyl]quinoline; 2-hydroxy-2-oxoacetate Traditional Name: 4-[[3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-ium-1-yl]methyl]quinoline dibinoxalate Formula: C30H35N3O10 MolecularWeight: 597.613

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)C3CCC[NH+](C3)CC4=CC=NC5=CC=CC=C45)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=NC5=CC=CC=C45)OC.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C26H31N3O2.2C2H2O4/c1-30-25-14-19-10-13-29(17-21(19)15-26(25)31-2)22-6-5-12-28(18-22)16-20-9-11-27-24-8-4-3-7-23(20)24;2*3-1(4)2(5)6/h3-4,7-9,11,14-15,22H,5-6,10,12-13,16-18H2,1-2H3;2*(H,3,4)(H,5,6)