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

Systemtic Name: 3-(2-methoxyphenyl)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(2-methoxyphenyl)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(2-methoxyphenyl)-4-oxo-8-(1-piperidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-methoxyphenyl)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 4-keto-3-(2-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Formula: C23H22F3NO4 MolecularWeight: 433.42029

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)[O-])C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)[O-])C(F)(F)F

InChI

InChI=1S/C23H22F3NO4/c1-30-18-8-4-3-7-14(18)19-20(29)15-9-10-17(28)16(13-27-11-5-2-6-12-27)21(15)31-22(19)23(24,25)26/h3-4,7-10,28H,2,5-6,11-13H2,1H3