8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-3-naphthalen-2-yloxy-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-3-naphthalen-2-yloxy-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-3-(2-naphthyloxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(2-ethyl-1-piperidin-1-iumyl)methyl]-3-(2-naphthalenyloxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-keto-3-(2-naphthoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C28H26F3NO4 MolecularWeight: 497.50555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F)[O-]

Isomeric SMILES

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F)[O-]

InChI

InChI=1S/C28H26F3NO4/c1-2-19-9-5-6-14-32(19)16-22-23(33)13-12-21-24(34)26(27(28(29,30)31)36-25(21)22)35-20-11-10-17-7-3-4-8-18(17)15-20/h3-4,7-8,10-13,15,19,33H,2,5-6,9,14,16H2,1H3