1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-3-carbonitrile chloride

Systemtic Name: 1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-3-carbonitrile chloride Openeye Name: 1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-3-carbonitrile chloride CAS Name: 1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridin-1-iumcarbonitrile chloride IUPAC Name: 1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-3-carbonitrile chloride Traditional Name: 1-[3-(trifluoromethyl)benzyl]pyridin-1-ium-3-carbonitrile chloride Formula: C14H10ClF3N2 MolecularWeight: 298.69081

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C[N+]2=CC=CC(=C2)C#N.[Cl-]

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C[N+]2=CC=CC(=C2)C#N.[Cl-]

InChI

InChI=1S/C14H10F3N2.ClH/c15-14(16,17)13-5-1-3-11(7-13)9-19-6-2-4-12(8-18)10-19;/h1-7,10H,9H2;1H/q+1;/p-1