(1-methyl-2,3-dihydropyridin-1-ium-4-yl) benzoate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (1-methyl-2,3-dihydropyridin-1-ium-4-yl) benzoate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (1-methyl-2,3-dihydropyridin-1-ium-4-yl) benzoate; 2,2,2-trifluoroacetate CAS Name: benzoic acid (1-methyl-2,3-dihydropyridin-1-ium-4-yl) ester; 2,2,2-trifluoroacetate IUPAC Name: (1-methyl-2,3-dihydropyridin-1-ium-4-yl) benzoate; 2,2,2-trifluoroacetate Traditional Name: benzoic acid (1-methyl-2,3-dihydropyridin-1-ium-4-yl) ester; 2,2,2-trifluoroacetate Formula: C15H14F3NO4 MolecularWeight: 329.27117

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(CC1)OC(=O)C2=CC=CC=C2.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C[N+]1=CC=C(CC1)OC(=O)C2=CC=CC=C2.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C13H14NO2.C2HF3O2/c1-14-9-7-12(8-10-14)16-13(15)11-5-3-2-4-6-11;3-2(4,5)1(6)7/h2-7,9H,8,10H2,1H3;(H,6,7)/q+1;/p-1