2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile chloride

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile chloride Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile chloride CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile chloride IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile chloride Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)nicotinonitrile chloride Formula: C12H14ClF3N4 MolecularWeight: 306.71457

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC(=N2)C(F)(F)F)C#N.[Cl-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC(=N2)C(F)(F)F)C#N.[Cl-]

InChI

InChI=1S/C12H13F3N4.ClH/c1-18-4-6-19(7-5-18)11-9(8-16)2-3-10(17-11)12(13,14)15;/h2-3H,4-7H2,1H3;1H