1-[4,7-dimethoxy-6-(2-piperidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-3-phenyl-propan-1-ol; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[4,7-dimethoxy-6-(2-piperidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-3-phenyl-propan-1-ol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[4,7-dimethoxy-6-(2-piperidin-1-ium-1-ylethoxy)benzofuran-5-yl]-3-phenyl-propan-1-ol; 2-hydroxy-2-oxo-acetate CAS Name: 1-[4,7-dimethoxy-6-[2-(1-piperidin-1-iumyl)ethoxy]-5-benzofuranyl]-3-phenyl-1-propanol; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[4,7-dimethoxy-6-(2-piperidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-3-phenylpropan-1-ol; 2-hydroxy-2-oxoacetate Traditional Name: 1-[4,7-dimethoxy-6-(2-piperidin-1-ium-1-ylethoxy)benzofuran-5-yl]-3-phenyl-propan-1-ol binoxalate Formula: C28H35NO9 MolecularWeight: 529.5788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1C=CO2)OC)OCC[NH+]3CCCCC3)C(CCC4=CC=CC=C4)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=C(C(=C(C2=C1C=CO2)OC)OCC[NH+]3CCCCC3)C(CCC4=CC=CC=C4)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C26H33NO5.C2H2O4/c1-29-23-20-13-17-31-24(20)26(30-2)25(32-18-16-27-14-7-4-8-15-27)22(23)21(28)12-11-19-9-5-3-6-10-19;3-1(4)2(5)6/h3,5-6,9-10,13,17,21,28H,4,7-8,11-12,14-16,18H2,1-2H3;(H,3,4)(H,5,6)