2-(1-methyl-2,3-dihydropyridin-1-ium-5-yl)ethanenitrile; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 2-(1-methyl-2,3-dihydropyridin-1-ium-5-yl)ethanenitrile; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 2-(1-methyl-2,3-dihydropyridin-1-ium-5-yl)acetonitrile; 2,2,2-trifluoroacetate CAS Name: 2-(1-methyl-2,3-dihydropyridin-1-ium-5-yl)acetonitrile; 2,2,2-trifluoroacetate IUPAC Name: 2-(1-methyl-2,3-dihydropyridin-1-ium-5-yl)acetonitrile; 2,2,2-trifluoroacetate Traditional Name: 2-(1-methyl-2,3-dihydropyridin-1-ium-5-yl)acetonitrile; 2,2,2-trifluoroacetate Formula: C10H11F3N2O2 MolecularWeight: 248.20175

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=CCC1)CC#N.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C[N+]1=CC(=CCC1)CC#N.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C8H11N2.C2HF3O2/c1-10-6-2-3-8(7-10)4-5-9;3-2(4,5)1(6)7/h3,7H,2,4,6H2,1H3;(H,6,7)/q+1;/p-1