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

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-6-(trifluoromethyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyridin-1-ium-3-carbonitrile Formula: C12H15F3N4+2 MolecularWeight: 272.26951

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC(=[NH+]2)C(F)(F)F)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC(=[NH+]2)C(F)(F)F)C#N

InChI

InChI=1S/C12H13F3N4/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/p+2