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

Systemtic Name: 3-(4-methylphenoxy)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(4-methylphenoxy)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(4-methylphenoxy)-8-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-methylphenoxy)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 4-keto-3-(4-methylphenoxy)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-2-(trifluoromethyl)chromen-7-olate Formula: C24H24F3NO4 MolecularWeight: 447.44687

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C)C(F)(F)F)[O-]

InChI

InChI=1S/C24H24F3NO4/c1-14-6-8-16(9-7-14)31-22-20(30)17-10-11-19(29)18(13-28-12-4-3-5-15(28)2)21(17)32-23(22)24(25,26)27/h6-11,15,29H,3-5,12-13H2,1-2H3/t15-/m0/s1