2,3-dihydropyridin-1-ium-1-yl(phenyl)methanone; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 2,3-dihydropyridin-1-ium-1-yl(phenyl)methanone; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 2,3-dihydropyridin-1-ium-1-yl(phenyl)methanone; 2,2,2-trifluoroacetate CAS Name: 2,3-dihydropyridin-1-ium-1-yl(phenyl)methanone; 2,2,2-trifluoroacetate IUPAC Name: 2,3-dihydropyridin-1-ium-1-yl(phenyl)methanone; 2,2,2-trifluoroacetate Traditional Name: 2,3-dihydropyridin-1-ium-1-yl(phenyl)methanone; 2,2,2-trifluoroacetate Formula: C14H12F3NO3 MolecularWeight: 299.24519

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=CC=C1)C(=O)C2=CC=CC=C2.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1C[N+](=CC=C1)C(=O)C2=CC=CC=C2.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C12H12NO.C2HF3O2/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13;3-2(4,5)1(6)7/h1-5,7-9H,6,10H2;(H,6,7)/q+1;/p-1