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

Systemtic Name: 3-(3,4-dimethylphenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(3,4-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(3,4-dimethylphenoxy)-7-hydroxy-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(3,4-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(3,4-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromone Formula: C25H27F3NO4+ MolecularWeight: 462.48139

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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)C)C)C(F)(F)F)O

Isomeric SMILES

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

InChI

InChI=1S/C25H26F3NO4/c1-14-8-10-29(11-9-14)13-19-20(30)7-6-18-21(31)23(24(25(26,27)28)33-22(18)19)32-17-5-4-15(2)16(3)12-17/h4-7,12,14,30H,8-11,13H2,1-3H3/p+1