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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromone Formula: C25H27F3NO5+ MolecularWeight: 478.48079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26F3NO5/c1-14-8-10-29(11-9-14)13-17-18(30)6-5-16-22(31)21(24(25(26,27)28)34-23(16)17)15-4-7-19(32-2)20(12-15)33-3/h4-7,12,14,30H,8-11,13H2,1-3H3/p+1