methyl-[[7-oxidanyl-4-oxidanylidene-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[[7-oxidanyl-4-oxidanylidene-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[7-hydroxy-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-ammonium CAS Name: [7-hydroxy-4-oxo-3-phenyl-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[7-hydroxy-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl]-methylazanium Traditional Name: benzyl-[[7-hydroxy-4-keto-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-ammonium Formula: C25H21F3NO3+ MolecularWeight: 440.43435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C(F)(F)F)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C(F)(F)F)O

InChI

InChI=1S/C25H20F3NO3/c1-29(14-16-8-4-2-5-9-16)15-19-20(30)13-12-18-22(31)21(17-10-6-3-7-11-17)24(25(26,27)28)32-23(18)19/h2-13,30H,14-15H2,1H3/p+1