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

Systemtic Name: [6-ethyl-7-oxidanyl-4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [6-ethyl-7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [6-ethyl-7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [6-ethyl-7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-8-yl]methyl-dimethylazanium Traditional Name: [6-ethyl-7-hydroxy-4-keto-3-phenoxy-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium Formula: C21H21F3NO4+ MolecularWeight: 408.39095

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3)C[NH+](C)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3)C[NH+](C)C)O

InChI

InChI=1S/C21H20F3NO4/c1-4-12-10-14-17(27)19(28-13-8-6-5-7-9-13)20(21(22,23)24)29-18(14)15(16(12)26)11-25(2)3/h5-10,26H,4,11H2,1-3H3/p+1