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

Systemtic Name: 3-(4-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(4-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(4-methoxyphenyl)-8-(4-morpholin-4-iumylmethyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 4-keto-3-(4-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Formula: C22H20F3NO5 MolecularWeight: 435.39311

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)[O-])C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)[O-])C(F)(F)F

InChI

InChI=1S/C22H20F3NO5/c1-29-14-4-2-13(3-5-14)18-19(28)15-6-7-17(27)16(12-26-8-10-30-11-9-26)20(15)31-21(18)22(23,24)25/h2-7,27H,8-12H2,1H3