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

Systemtic Name: 6-chloranyl-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-chromen-7-olate CAS Name: 6-chloro-4-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxochromen-7-olate Traditional Name: 6-chloro-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-keto-chromen-7-olate Formula: C20H18ClFN2O3 MolecularWeight: 388.819923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClFN2O3/c21-17-10-16-13(9-20(26)27-19(16)11-18(17)25)12-23-5-7-24(8-6-23)15-3-1-14(22)2-4-15/h1-4,9-11,25H,5-8,12H2