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

Systemtic Name: 3-(2-chloranylphenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(2-chlorophenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(2-chlorophenoxy)-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-chlorophenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(2-chlorophenoxy)-4-keto-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-7-olate Formula: C23H21ClF3NO4 MolecularWeight: 467.86535

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Cl)C(F)(F)F)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Cl)C(F)(F)F)[O-]

InChI

InChI=1S/C23H21ClF3NO4/c1-13-8-10-28(11-9-13)12-15-17(29)7-6-14-19(30)21(22(23(25,26)27)32-20(14)15)31-18-5-3-2-4-16(18)24/h2-7,13,29H,8-12H2,1H3