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

Systemtic Name: 3-(4-tert-butylphenoxy)-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-(trifluoromethyl)chromone Formula: C27H31F3NO4+ MolecularWeight: 490.53455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30F3NO4/c1-16-6-5-13-31(14-16)15-20-21(32)12-11-19-22(33)24(25(27(28,29)30)35-23(19)20)34-18-9-7-17(8-10-18)26(2,3)4/h7-12,16,32H,5-6,13-15H2,1-4H3/p+1/t16-/m0/s1