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

Systemtic Name: 3-(2-bromanylphenoxy)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(2-bromophenoxy)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(2-bromophenoxy)-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-bromophenoxy)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(2-bromophenoxy)-4-keto-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-7-olate Formula: C23H21BrF3NO4 MolecularWeight: 512.31635

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)[O-]

InChI

InChI=1S/C23H21BrF3NO4/c1-13-5-4-10-28(11-13)12-15-17(29)9-8-14-19(30)21(22(23(25,26)27)32-20(14)15)31-18-7-3-2-6-16(18)24/h2-3,6-9,13,29H,4-5,10-12H2,1H3