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

Systemtic Name: 3-(2,5-dimethylphenoxy)-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(2,5-dimethylphenoxy)-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(2,5-dimethylphenoxy)-4-oxo-8-(1-pyrrolidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2,5-dimethylphenoxy)-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(2,5-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(=C(C=C1)C)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)[O-])C(F)(F)F

Isomeric SMILES

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

InChI

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