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

Systemtic Name: dimethyl-[[7-oxidanyl-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Openeye Name: [7-hydroxy-4-oxo-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [7-hydroxy-4-oxo-3-(1-phenyl-4-pyrazolyl)-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [7-hydroxy-4-oxo-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-8-yl]methyl-dimethylazanium Traditional Name: [7-hydroxy-4-keto-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium Formula: C22H19F3N3O3+ MolecularWeight: 430.39977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CN(N=C3)C4=CC=CC=C4)C(F)(F)F)O

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CN(N=C3)C4=CC=CC=C4)C(F)(F)F)O

InChI

InChI=1S/C22H18F3N3O3/c1-27(2)12-16-17(29)9-8-15-19(30)18(21(22(23,24)25)31-20(15)16)13-10-26-28(11-13)14-6-4-3-5-7-14/h3-11,29H,12H2,1-2H3/p+1