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

Systemtic Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-3-phenyl-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(2-ethyl-1-piperidin-1-iumyl)methyl]-4-oxo-3-phenyl-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-keto-3-phenyl-2-(trifluoromethyl)chromen-7-olate Formula: C24H24F3NO3 MolecularWeight: 431.44747

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C(F)(F)F)[O-]

Isomeric SMILES

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C(F)(F)F)[O-]

InChI

InChI=1S/C24H24F3NO3/c1-2-16-10-6-7-13-28(16)14-18-19(29)12-11-17-21(30)20(15-8-4-3-5-9-15)23(24(25,26)27)31-22(17)18/h3-5,8-9,11-12,16,29H,2,6-7,10,13-14H2,1H3