1-methylpyridin-1-ium-3-carboxamide; 2-[[3-(trifluoromethyl)phenyl]amino]benzoate

Systemtic Name: 1-methylpyridin-1-ium-3-carboxamide; 2-[[3-(trifluoromethyl)phenyl]amino]benzoate Openeye Name: 1-methylpyridin-1-ium-3-carboxamide; 2-[3-(trifluoromethyl)anilino]benzoate CAS Name: 1-methyl-3-pyridin-1-iumcarboxamide; 2-[3-(trifluoromethyl)anilino]benzoate IUPAC Name: 1-methylpyridin-1-ium-3-carboxamide; 2-[3-(trifluoromethyl)anilino]benzoate Traditional Name: 1-methylpyridin-1-ium-3-carboxamide; 2-[3-(trifluoromethyl)anilino]benzoate Formula: C21H18F3N3O3 MolecularWeight: 417.38113

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)N.C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)N.C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C14H10F3NO2.C7H8N2O/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20;1-9-4-2-3-6(5-9)7(8)10/h1-8,18H,(H,19,20);2-5H,1H3,(H-,8,10)