3-(3,5-dimethylphenoxy)-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 3-(3,5-dimethylphenoxy)-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(3,5-dimethylphenoxy)-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(3,5-dimethylphenoxy)-4-oxo-8-(1-pyrrolidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(3,5-dimethylphenoxy)-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(3,5-dimethylphenoxy)-4-keto-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Formula: C23H22F3NO4 MolecularWeight: 433.42029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)[O-])C(F)(F)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)[O-])C(F)(F)F)C

InChI

InChI=1S/C23H22F3NO4/c1-13-9-14(2)11-15(10-13)30-21-19(29)16-5-6-18(28)17(12-27-7-3-4-8-27)20(16)31-22(21)23(24,25)26/h5-6,9-11,28H,3-4,7-8,12H2,1-2H3