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

Systemtic Name: (5-ethyl-2,3-dihydropyridin-1-ium-1-yl)-phenyl-methanone; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (5-ethyl-2,3-dihydropyridin-1-ium-1-yl)-phenyl-methanone; 2,2,2-trifluoroacetate CAS Name: (5-ethyl-2,3-dihydropyridin-1-ium-1-yl)-phenylmethanone; 2,2,2-trifluoroacetate IUPAC Name: (5-ethyl-2,3-dihydropyridin-1-ium-1-yl)-phenylmethanone; 2,2,2-trifluoroacetate Traditional Name: (5-ethyl-2,3-dihydropyridin-1-ium-1-yl)-phenyl-methanone; 2,2,2-trifluoroacetate Formula: C16H16F3NO3 MolecularWeight: 327.29835

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CCC[N+](=C1)C(=O)C2=CC=CC=C2.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCC1=CCC[N+](=C1)C(=O)C2=CC=CC=C2.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C14H16NO.C2HF3O2/c1-2-12-7-6-10-15(11-12)14(16)13-8-4-3-5-9-13;3-2(4,5)1(6)7/h3-5,7-9,11H,2,6,10H2,1H3;(H,6,7)/q+1;/p-1