2-[6-methoxy-4-methyl-1-oxidanidyl-5-[3-(trifluoromethyl)phenoxy]quinolin-1-ium-8-yl]isoindole-1,3-dione

Systemtic Name: 2-[6-methoxy-4-methyl-1-oxidanidyl-5-[3-(trifluoromethyl)phenoxy]quinolin-1-ium-8-yl]isoindole-1,3-dione Openeye Name: 2-[6-methoxy-4-methyl-1-oxido-5-[3-(trifluoromethyl)phenoxy]quinolin-1-ium-8-yl]isoindoline-1,3-dione CAS Name: 2-[6-methoxy-4-methyl-1-oxido-5-[3-(trifluoromethyl)phenoxy]-8-quinolin-1-iumyl]isoindole-1,3-dione IUPAC Name: 2-[6-methoxy-4-methyl-1-oxido-5-[3-(trifluoromethyl)phenoxy]quinolin-1-ium-8-yl]isoindole-1,3-dione Traditional Name: 2-[6-methoxy-4-methyl-1-oxido-5-[3-(trifluoromethyl)phenoxy]quinolin-1-ium-8-yl]isoindoline-1,3-quinone Formula: C26H17F3N2O5 MolecularWeight: 494.41879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C(C2=[N+](C=C1)[O-])N3C(=O)C4=CC=CC=C4C3=O)OC)OC5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

CC1=C2C(=C(C=C(C2=[N+](C=C1)[O-])N3C(=O)C4=CC=CC=C4C3=O)OC)OC5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C26H17F3N2O5/c1-14-10-11-30(34)22-19(31-24(32)17-8-3-4-9-18(17)25(31)33)13-20(35-2)23(21(14)22)36-16-7-5-6-15(12-16)26(27,28)29/h3-13H,1-2H3