3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyrazine-2-carbonitrile

Systemtic Name: 3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyrazine-2-carbonitrile Openeye Name: 3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyrazine-2-carbonitrile CAS Name: 3-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-2-pyrazinecarbonitrile IUPAC Name: 3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyrazine-2-carbonitrile Traditional Name: 3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]pyrazinonitrile Formula: C15H14F3N6+ MolecularWeight: 335.30707

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C3=NC=CN=C3C#N

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C3=NC=CN=C3C#N

InChI

InChI=1S/C15H13F3N6/c16-15(17,18)11-1-2-13(22-10-11)23-5-7-24(8-6-23)14-12(9-19)20-3-4-21-14/h1-4,10H,5-8H2/p+1