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

Systemtic Name: 3-(4-chloranylphenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(4-chlorophenoxy)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(4-chlorophenoxy)-7-hydroxy-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(4-chlorophenoxy)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(4-chlorophenoxy)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromone Formula: C23H22ClF3NO4+ MolecularWeight: 468.87329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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