6-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 6-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 6-[4-[3-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 6-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]pyridin-1-ium-3-carbonitrile Formula: C16H16F3N5+2 MolecularWeight: 335.32695

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C#N)C3=C(C=CC=[NH+]3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C#N)C3=C(C=CC=[NH+]3)C(F)(F)F

InChI

InChI=1S/C16H14F3N5/c17-16(18,19)13-2-1-5-21-15(13)24-8-6-23(7-9-24)14-4-3-12(10-20)11-22-14/h1-5,11H,6-9H2/p+2