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

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

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC(=C4)C)C(F)(F)F)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC(=C4)C)C(F)(F)F)[O-]

InChI

InChI=1S/C24H24F3NO4/c1-14-8-10-28(11-9-14)13-18-19(29)7-6-17-20(30)22(23(24(25,26)27)32-21(17)18)31-16-5-3-4-15(2)12-16/h3-7,12,14,29H,8-11,13H2,1-2H3