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

Systemtic Name: (2S)-1-[[3-(4-fluorophenyl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-1-[[3-(4-fluorophenyl)-7-hydroxy-4-oxo-chromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[3-(4-fluorophenyl)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-1-[[3-(4-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[3-(4-fluorophenyl)-7-hydroxy-4-keto-chromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate Formula: C21H18FNO5 MolecularWeight: 383.369723

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)F)O)C(=O)[O-]

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)F)O)C(=O)[O-]

InChI

InChI=1S/C21H18FNO5/c22-13-5-3-12(4-6-13)16-11-28-20-14(19(16)25)7-8-18(24)15(20)10-23-9-1-2-17(23)21(26)27/h3-8,11,17,24H,1-2,9-10H2,(H,26,27)/t17-/m0/s1