1-(4-fluorophenyl)-4-(2-methoxyspiro[2H-1-benzofuran-3,4'-piperidin-1-ium]-1'-yl)butan-1-one; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-(4-fluorophenyl)-4-(2-methoxyspiro[2H-1-benzofuran-3,4'-piperidin-1-ium]-1'-yl)butan-1-one; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-(4-fluorophenyl)-4-(2-methoxyspiro[2H-benzofuran-3,4'-piperidin-1-ium]-1'-yl)butan-1-one; 2-hydroxy-2-oxo-acetate CAS Name: 1-(4-fluorophenyl)-4-(2-methoxy-1'-spiro[2H-benzofuran-3,4'-piperidin-1-ium]yl)-1-butanone; 2-hydroxy-2-oxoacetate IUPAC Name: 1-(4-fluorophenyl)-4-(2-methoxyspiro[2H-1-benzofuran-3,4'-piperidin-1-ium]-1'-yl)butan-1-one; 2-hydroxy-2-oxoacetate Traditional Name: 1-(4-fluorophenyl)-4-(2-methoxyspiro[coumaran-3,4'-piperidin-1-ium]-1'-yl)butan-1-one binoxalate Formula: C25H28FNO7 MolecularWeight: 473.490723

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4O1.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1C2(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4O1.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C23H26FNO3.C2H2O4/c1-27-22-23(19-5-2-3-7-21(19)28-22)12-15-25(16-13-23)14-4-6-20(26)17-8-10-18(24)11-9-17;3-1(4)2(5)6/h2-3,5,7-11,22H,4,6,12-16H2,1H3;(H,3,4)(H,5,6)