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

Systemtic Name: [6-ethyl-7-oxidanyl-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [6-ethyl-7-hydroxy-4-oxo-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [6-ethyl-7-hydroxy-4-oxo-3-(1-phenyl-4-pyrazolyl)-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [6-ethyl-7-hydroxy-4-oxo-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-8-yl]methyl-dimethylazanium Traditional Name: [6-ethyl-7-hydroxy-4-keto-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium Formula: C24H23F3N3O3+ MolecularWeight: 458.45293

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CN(N=C3)C4=CC=CC=C4)C[NH+](C)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CN(N=C3)C4=CC=CC=C4)C[NH+](C)C)O

InChI

InChI=1S/C24H22F3N3O3/c1-4-14-10-17-21(32)19(15-11-28-30(12-15)16-8-6-5-7-9-16)23(24(25,26)27)33-22(17)18(20(14)31)13-29(2)3/h5-12,31H,4,13H2,1-3H3/p+1