3-(4-ethylphenoxy)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 3-(4-ethylphenoxy)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(4-ethylphenoxy)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(4-ethylphenoxy)-4-oxo-8-(1-piperidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-ethylphenoxy)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(4-ethylphenoxy)-4-keto-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Formula: C24H24F3NO4 MolecularWeight: 447.44687

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)[O-])C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)[O-])C(F)(F)F

InChI

InChI=1S/C24H24F3NO4/c1-2-15-6-8-16(9-7-15)31-22-20(30)17-10-11-19(29)18(14-28-12-4-3-5-13-28)21(17)32-23(22)24(25,26)27/h6-11,29H,2-5,12-14H2,1H3