1-[4,7-dimethoxy-6-(2-pyrrolidin-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-pyrrolidin-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-pyrrolidin-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-pyrrolidin-1-iumyl)ethoxy]-5-benzofuranyl]-3-phenyl-1-propanol; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-3-phenylpropan-1-ol; 2-hydroxy-2-oxoacetate Traditional Name: 1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ium-1-ylethoxy)benzofuran-5-yl]-3-phenyl-propan-1-ol binoxalate Formula: C27H33NO9 MolecularWeight: 515.55222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1C=CO2)OC)OCC[NH+]3CCCC3)C(CCC4=CC=CC=C4)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=C(C(=C(C2=C1C=CO2)OC)OCC[NH+]3CCCC3)C(CCC4=CC=CC=C4)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C25H31NO5.C2H2O4/c1-28-22-19-12-16-30-23(19)25(29-2)24(31-17-15-26-13-6-7-14-26)21(22)20(27)11-10-18-8-4-3-5-9-18;3-1(4)2(5)6/h3-5,8-9,12,16,20,27H,6-7,10-11,13-15,17H2,1-2H3;(H,3,4)(H,5,6)