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

Systemtic Name: 3-(2-bromanylphenoxy)-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(2-bromophenoxy)-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(2-bromophenoxy)-8-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(2-bromophenoxy)-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(2-bromophenoxy)-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-2-(trifluoromethyl)chromone Formula: C24H24BrF3NO4+ MolecularWeight: 527.35087

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)O

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)O

InChI

InChI=1S/C24H23BrF3NO4/c1-2-14-7-5-6-12-29(14)13-16-18(30)11-10-15-20(31)22(23(24(26,27)28)33-21(15)16)32-19-9-4-3-8-17(19)25/h3-4,8-11,14,30H,2,5-7,12-13H2,1H3/p+1/t14-/m0/s1