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

Systemtic Name: dimethyl-[[8-methyl-3-(2-methylphenyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-6-yl]methyl]azanium Openeye Name: [7-hydroxy-8-methyl-3-(o-tolyl)-4-oxo-2-(trifluoromethyl)chromen-6-yl]methyl-dimethyl-ammonium CAS Name: [7-hydroxy-8-methyl-3-(2-methylphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-6-yl]methyl-dimethylammonium IUPAC Name: [7-hydroxy-8-methyl-3-(2-methylphenyl)-4-oxo-2-(trifluoromethyl)chromen-6-yl]methyl-dimethylazanium Traditional Name: [7-hydroxy-4-keto-8-methyl-3-(o-tolyl)-2-(trifluoromethyl)chromen-6-yl]methyl-dimethyl-ammonium Formula: C21H21F3NO3+ MolecularWeight: 392.39155

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(OC3=C(C(=C(C=C3C2=O)C[NH+](C)C)O)C)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1C2=C(OC3=C(C(=C(C=C3C2=O)C[NH+](C)C)O)C)C(F)(F)F

InChI

InChI=1S/C21H20F3NO3/c1-11-7-5-6-8-14(11)16-18(27)15-9-13(10-25(3)4)17(26)12(2)19(15)28-20(16)21(22,23)24/h5-9,26H,10H2,1-4H3/p+1