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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC(C4)C)O)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC(C4)C)O)C(F)(F)F

InChI

InChI=1S/C25H26F3NO4/c1-3-16-6-8-17(9-7-16)32-23-21(31)18-10-11-20(30)19(14-29-12-4-5-15(2)13-29)22(18)33-24(23)25(26,27)28/h6-11,15,30H,3-5,12-14H2,1-2H3/p+1