4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-6-olate

Systemtic Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-6-olate Openeye Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-chromen-6-olate CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2-oxo-1-benzopyran-6-olate IUPAC Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxochromen-6-olate Traditional Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-keto-chromen-6-olate Formula: C20H19FN2O3 MolecularWeight: 354.374863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN2O3/c21-15-1-3-16(4-2-15)23-9-7-22(8-10-23)13-14-11-20(25)26-19-6-5-17(24)12-18(14)19/h1-6,11-12,24H,7-10,13H2