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

Systemtic Name: 3-(3-methylphenoxy)-7-[3-(4-methylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-[2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-[2-hydroxy-3-(4-methyl-1-piperidin-1-iumyl)propoxy]-3-(3-methylphenoxy)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-[2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-[2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]-3-(3-methylphenoxy)-2-(trifluoromethyl)chromone Formula: C26H29F3NO5+ MolecularWeight: 492.50737

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(COC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC(=C4)C)O

Isomeric SMILES

CC1CC[NH+](CC1)CC(COC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC(=C4)C)O

InChI

InChI=1S/C26H28F3NO5/c1-16-8-10-30(11-9-16)14-18(31)15-33-19-6-7-21-22(13-19)35-25(26(27,28)29)24(23(21)32)34-20-5-3-4-17(2)12-20/h3-7,12-13,16,18,31H,8-11,14-15H2,1-2H3/p+1