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

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium Formula: C21H19F3NO5+ MolecularWeight: 422.37447

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC4=C(C=C3)OCCO4)C(F)(F)F)O

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC4=C(C=C3)OCCO4)C(F)(F)F)O

InChI

InChI=1S/C21H18F3NO5/c1-25(2)10-13-14(26)5-4-12-18(27)17(20(21(22,23)24)30-19(12)13)11-3-6-15-16(9-11)29-8-7-28-15/h3-6,9,26H,7-8,10H2,1-2H3/p+1