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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-4-oxo-8-(1-piperidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-4-keto-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Formula: C24H24F3NO5 MolecularWeight: 463.44627

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)[O-])C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)[O-])C(F)(F)F)OC

InChI

InChI=1S/C24H24F3NO5/c1-31-18-9-6-14(12-19(18)32-2)20-21(30)15-7-8-17(29)16(13-28-10-4-3-5-11-28)22(15)33-23(20)24(25,26)27/h6-9,12,29H,3-5,10-11,13H2,1-2H3