3-(3-methylphenoxy)-7-(2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy)-2-(trifluoromethyl)chromen-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OCC(C[NH+]4CCCCC4)O)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OCC(C[NH+]4CCCCC4)O)C(F)(F)F

InChI

InChI=1S/C25H26F3NO5/c1-16-6-5-7-19(12-16)33-23-22(31)20-9-8-18(13-21(20)34-24(23)25(26,27)28)32-15-17(30)14-29-10-3-2-4-11-29/h5-9,12-13,17,30H,2-4,10-11,14-15H2,1H3/p+1