dimethyl-[[8-methyl-7-oxidanyl-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-6-yl]methyl]azanium

Systemtic Name: dimethyl-[[8-methyl-7-oxidanyl-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-6-yl]methyl]azanium Openeye Name: [7-hydroxy-8-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-6-yl]methyl-dimethyl-ammonium CAS Name: [7-hydroxy-8-methyl-4-oxo-3-(1-phenyl-4-pyrazolyl)-2-(trifluoromethyl)-1-benzopyran-6-yl]methyl-dimethylammonium IUPAC Name: [7-hydroxy-8-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-6-yl]methyl-dimethylazanium Traditional Name: [7-hydroxy-4-keto-8-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-6-yl]methyl-dimethyl-ammonium Formula: C23H21F3N3O3+ MolecularWeight: 444.42635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)C[NH+](C)C)C(=O)C(=C(O2)C(F)(F)F)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC(=C1O)C[NH+](C)C)C(=O)C(=C(O2)C(F)(F)F)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H20F3N3O3/c1-13-19(30)14(11-28(2)3)9-17-20(31)18(22(23(24,25)26)32-21(13)17)15-10-27-29(12-15)16-7-5-4-6-8-16/h4-10,12,30H,11H2,1-3H3/p+1