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

Systemtic Name: dimethyl-[[3-(3-methylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Openeye Name: [7-hydroxy-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [7-hydroxy-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [7-hydroxy-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dimethylazanium Traditional Name: [7-hydroxy-4-keto-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium Formula: C20H19F3NO4+ MolecularWeight: 394.36437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C)O)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C)O)C(F)(F)F

InChI

InChI=1S/C20H18F3NO4/c1-11-5-4-6-12(9-11)27-18-16(26)13-7-8-15(25)14(10-24(2)3)17(13)28-19(18)20(21,22)23/h4-9,25H,10H2,1-3H3/p+1