[6-ethyl-3-(2-fluoranylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-azanium

Systemtic Name: [6-ethyl-3-(2-fluoranylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [6-ethyl-3-(2-fluorophenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [6-ethyl-3-(2-fluorophenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [6-ethyl-3-(2-fluorophenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dimethylazanium Traditional Name: [6-ethyl-3-(2-fluorophenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium Formula: C21H20F4NO4+ MolecularWeight: 426.381413

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3F)C[NH+](C)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3F)C[NH+](C)C)O

InChI

InChI=1S/C21H19F4NO4/c1-4-11-9-12-17(28)19(29-15-8-6-5-7-14(15)22)20(21(23,24)25)30-18(12)13(16(11)27)10-26(2)3/h5-9,27H,4,10H2,1-3H3/p+1