4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-2-oxidanylidene-chromen-8-olate

Systemtic Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-2-oxidanylidene-chromen-8-olate Openeye Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-2-oxo-chromen-8-olate CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-7-hydroxy-2-oxo-1-benzopyran-8-olate IUPAC Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-2-oxochromen-8-olate Traditional Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-2-keto-chromen-8-olate Formula: C20H19FN2O4 MolecularWeight: 370.374263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3[O-])O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3[O-])O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H19FN2O4/c21-14-1-3-15(4-2-14)23-9-7-22(8-10-23)12-13-11-18(25)27-20-16(13)5-6-17(24)19(20)26/h1-6,11,24,26H,7-10,12H2