2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetonitrile Formula: C12H15F3N4+2 MolecularWeight: 272.26951

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC#N)C2=[NH+]C=C(C=C2)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC#N)C2=[NH+]C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H13F3N4/c13-12(14,15)10-1-2-11(17-9-10)19-7-5-18(4-3-16)6-8-19/h1-2,9H,4-8H2/p+2