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

Systemtic Name: [3-(4-ethylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(4-ethylphenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium Formula: C21H21F3NO4+ MolecularWeight: 408.39095

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C)O)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C)O)C(F)(F)F

InChI

InChI=1S/C21H20F3NO4/c1-4-12-5-7-13(8-6-12)28-19-17(27)14-9-10-16(26)15(11-25(2)3)18(14)29-20(19)21(22,23)24/h5-10,26H,4,11H2,1-3H3/p+1