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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC(C4)C)O)C(F)(F)F

Isomeric SMILES

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC(C4)C)O)C(F)(F)F

InChI

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