4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate

Systemtic Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate Openeye Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-7-phenyl-chromen-6-olate CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2-oxo-7-phenyl-1-benzopyran-6-olate IUPAC Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-7-phenylchromen-6-olate Traditional Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-keto-7-phenyl-chromen-6-olate Formula: C26H23FN2O3 MolecularWeight: 430.470823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H23FN2O3/c27-20-6-8-21(9-7-20)29-12-10-28(11-13-29)17-19-14-26(31)32-25-16-22(24(30)15-23(19)25)18-4-2-1-3-5-18/h1-9,14-16,30H,10-13,17H2