6,7-dimethoxy-2-[1-(thiophen-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-(thiophen-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-thienylmethyl)piperidin-1-ium-3-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium; 2-hydroxy-2-oxo-acetate CAS Name: 6,7-dimethoxy-2-[1-(thiophen-2-ylmethyl)-3-piperidin-1-iumyl]-1,2,3,4-tetrahydroisoquinolin-2-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 6,7-dimethoxy-2-[1-(thiophen-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-thenyl)piperidin-1-ium-3-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium dibinoxalate Formula: C25H32N2O10S MolecularWeight: 552.59398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)C3CCC[NH+](C3)CC4=CC=CS4)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=CS4)OC.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H28N2O2S.2C2H2O4/c1-24-20-11-16-7-9-23(13-17(16)12-21(20)25-2)18-5-3-8-22(14-18)15-19-6-4-10-26-19;2*3-1(4)2(5)6/h4,6,10-12,18H,3,5,7-9,13-15H2,1-2H3;2*(H,3,4)(H,5,6)