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

Systemtic Name: 3-(3-methylphenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(3-methylphenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-(3-methylphenoxy)-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(3-methylphenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(3-methylphenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromone Formula: C24H25F3NO4+ MolecularWeight: 448.45481

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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/p+1