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

Systemtic Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-oxidanyl-7-phenyl-chromen-2-one Openeye Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-hydroxy-7-phenyl-chromen-2-one CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-6-hydroxy-7-phenyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-hydroxy-7-phenylchromen-2-one Traditional Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-hydroxy-7-phenyl-coumarin Formula: C26H24FN2O3+ MolecularWeight: 431.478763

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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/p+1