2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetonitrile Formula: C12H14ClF3N4+2 MolecularWeight: 306.71457

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC#N)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC#N)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C12H12ClF3N4/c13-10-7-9(12(14,15)16)8-18-11(10)20-5-3-19(2-1-17)4-6-20/h7-8H,2-6H2/p+2