8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-3-phenyl-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-3-phenyl-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3-phenyl-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-3-phenyl-2-(trifluoromethyl)chromen-7-olate Formula: C23H23F3N2O4 MolecularWeight: 448.43493

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C(F)(F)F)[O-])CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C(F)(F)F)[O-])CCO

InChI

InChI=1S/C23H23F3N2O4/c24-23(25,26)22-19(15-4-2-1-3-5-15)20(31)16-6-7-18(30)17(21(16)32-22)14-28-10-8-27(9-11-28)12-13-29/h1-7,29-30H,8-14H2