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

Systemtic Name: 2-[1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 2-[1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-hydroxy-2-oxoacetate; 2-[1-(1H-indol-3-ylmethyl)-3-piperidin-1-iumyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 2-[1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium dibinoxalate Formula: C29H35N3O10 MolecularWeight: 585.6023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)C3CCC[NH+](C3)CC4=CNC5=CC=CC=C54)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=CNC5=CC=CC=C54)OC.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C25H31N3O2.2C2H2O4/c1-29-24-12-18-9-11-28(16-19(18)13-25(24)30-2)21-6-5-10-27(17-21)15-20-14-26-23-8-4-3-7-22(20)23;2*3-1(4)2(5)6/h3-4,7-8,12-14,21,26H,5-6,9-11,15-17H2,1-2H3;2*(H,3,4)(H,5,6)