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

Systemtic Name: [3-(3,4-dimethoxyphenyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(3,4-dimethoxyphenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(3,4-dimethoxyphenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(3,4-dimethoxyphenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(3,4-dimethoxyphenyl)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium Formula: C21H21F3NO5+ MolecularWeight: 424.39035

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC(=C(C=C3)OC)OC)C(F)(F)F)O

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC(=C(C=C3)OC)OC)C(F)(F)F)O

InChI

InChI=1S/C21H20F3NO5/c1-25(2)10-13-14(26)7-6-12-18(27)17(20(21(22,23)24)30-19(12)13)11-5-8-15(28-3)16(9-11)29-4/h5-9,26H,10H2,1-4H3/p+1