3-(2-ethoxyphenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 3-(2-ethoxyphenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(2-ethoxyphenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(2-ethoxyphenoxy)-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-ethoxyphenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(2-ethoxyphenoxy)-4-keto-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-7-olate Formula: C25H26F3NO5 MolecularWeight: 477.47285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCC(CC4)C)[O-])C(F)(F)F

Isomeric SMILES

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCC(CC4)C)[O-])C(F)(F)F

InChI

InChI=1S/C25H26F3NO5/c1-3-32-19-6-4-5-7-20(19)33-23-21(31)16-8-9-18(30)17(14-29-12-10-15(2)11-13-29)22(16)34-24(23)25(26,27)28/h4-9,15,30H,3,10-14H2,1-2H3