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

Systemtic Name: dimethyl-[[7-oxidanyl-4-oxidanylidene-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Openeye Name: [7-hydroxy-3-(2-isopropylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [7-hydroxy-4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [7-hydroxy-4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl-dimethylazanium Traditional Name: [7-hydroxy-3-(2-isopropylphenoxy)-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium Formula: C22H23F3NO4+ MolecularWeight: 422.41753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C)O)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C)O)C(F)(F)F

InChI

InChI=1S/C22H22F3NO4/c1-12(2)13-7-5-6-8-17(13)29-20-18(28)14-9-10-16(27)15(11-26(3)4)19(14)30-21(20)22(23,24)25/h5-10,12,27H,11H2,1-4H3/p+1