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

Systemtic Name: 3-(4-methoxyphenyl)-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(4-methoxyphenyl)-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)C4=CC=C(C=C4)OC)C(F)(F)F)O

Isomeric SMILES

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

InChI

InChI=1S/C24H24F3NO4/c1-14-4-3-11-28(12-14)13-18-19(29)10-9-17-21(30)20(15-5-7-16(31-2)8-6-15)23(24(25,26)27)32-22(17)18/h5-10,14,29H,3-4,11-13H2,1-2H3/p+1/t14-/m0/s1