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

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]-2-methyl-propanenitrile Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]-2-methyl-propanenitrile CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]-2-methylpropanenitrile IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]-2-methylpropanenitrile Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]-2-methyl-propionitrile Formula: C14H18ClF3N4+2 MolecularWeight: 334.76773

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClF3N4/c1-13(2,9-19)22-5-3-21(4-6-22)12-11(15)7-10(8-20-12)14(16,17)18/h7-8H,3-6H2,1-2H3/p+2