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

Systemtic Name: 2-hydroxyethyl-[[3-(4-methoxyphenyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Openeye Name: 2-hydroxyethyl-[[7-hydroxy-3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium CAS Name: 2-hydroxyethyl-[[7-hydroxy-3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: 2-hydroxyethyl-[[7-hydroxy-3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Traditional Name: 2-hydroxyethyl-[[7-hydroxy-4-keto-3-(4-methoxyphenyl)-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium Formula: C20H19F3NO5+ MolecularWeight: 410.36377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3C[NH2+]CCO)O)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3C[NH2+]CCO)O)C(F)(F)F

InChI

InChI=1S/C20H18F3NO5/c1-28-12-4-2-11(3-5-12)16-17(27)13-6-7-15(26)14(10-24-8-9-25)18(13)29-19(16)20(21,22)23/h2-7,24-26H,8-10H2,1H3/p+1