[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxylic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-pyrrolidinopyridin-1-ium-3-carboxylic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C20H16F3N2O4+ MolecularWeight: 405.34725

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

InChI

InChI=1S/C20H15F3N2O4/c21-20(22,23)15-11-17(26)29-16-10-12(5-6-13(15)16)28-19(27)14-4-3-7-24-18(14)25-8-1-2-9-25/h3-7,10-11H,1-2,8-9H2/p+1