3-(2-bromanylphenoxy)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 3-(2-bromanylphenoxy)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(2-bromophenoxy)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(2-bromophenoxy)-8-[(2-ethyl-1-piperidin-1-iumyl)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-bromophenoxy)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(2-bromophenoxy)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C24H23BrF3NO4 MolecularWeight: 526.34293

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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

CCC1CCCC[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