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

Systemtic Name: 3-(3-methylphenoxy)-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(3-methylphenoxy)-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-(3-methylphenoxy)-8-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(3-methylphenoxy)-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(3-methylphenoxy)-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-(trifluoromethyl)chromone Formula: C24H25F3NO4+ MolecularWeight: 448.45481

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC(=C4)C)C(F)(F)F)O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC(=C4)C)C(F)(F)F)O

InChI

InChI=1S/C24H24F3NO4/c1-14-5-3-7-16(11-14)31-22-20(30)17-8-9-19(29)18(13-28-10-4-6-15(2)12-28)21(17)32-23(22)24(25,26)27/h3,5,7-9,11,15,29H,4,6,10,12-13H2,1-2H3/p+1/t15-/m0/s1