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

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-4-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-4-phenyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-4-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-4-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]-4-phenyl-pyridin-1-ium-3-carbonitrile Formula: C22H19ClF3N5+2 MolecularWeight: 445.86797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C3=[NH+]C=CC(=C3C#N)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C3=[NH+]C=CC(=C3C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H17ClF3N5/c23-19-12-16(22(24,25)26)14-29-21(19)31-10-8-30(9-11-31)20-18(13-27)17(6-7-28-20)15-4-2-1-3-5-15/h1-7,12,14H,8-11H2/p+2