(2R)-1-[[3-(2-fluoranylphenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2R)-1-[[3-(2-fluoranylphenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2R)-1-[[3-(2-fluorophenoxy)-7-hydroxy-4-oxo-chromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[3-(2-fluorophenoxy)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R)-1-[[3-(2-fluorophenoxy)-7-hydroxy-4-oxochromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[3-(2-fluorophenoxy)-7-hydroxy-4-keto-chromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate Formula: C21H18FNO6 MolecularWeight: 399.369123

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4F)O)C(=O)[O-]

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4F)O)C(=O)[O-]

InChI

InChI=1S/C21H18FNO6/c22-14-4-1-2-6-17(14)29-18-11-28-20-12(19(18)25)7-8-16(24)13(20)10-23-9-3-5-15(23)21(26)27/h1-2,4,6-8,11,15,24H,3,5,9-10H2,(H,26,27)/t15-/m1/s1