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

Systemtic Name: 8-[(2-methylpiperidin-1-ium-1-yl)methyl]-3-naphthalen-2-yloxy-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(2-methylpiperidin-1-ium-1-yl)methyl]-3-(2-naphthyloxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(2-methyl-1-piperidin-1-iumyl)methyl]-3-(2-naphthalenyloxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(2-methylpiperidin-1-ium-1-yl)methyl]-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 4-keto-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-3-(2-naphthoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C27H24F3NO4 MolecularWeight: 483.47897

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F)[O-]

Isomeric SMILES

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F)[O-]

InChI

InChI=1S/C27H24F3NO4/c1-16-6-4-5-13-31(16)15-21-22(32)12-11-20-23(33)25(26(27(28,29)30)35-24(20)21)34-19-10-9-17-7-2-3-8-18(17)14-19/h2-3,7-12,14,16,32H,4-6,13,15H2,1H3