2-[2-oxidanylidene-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 2-[2-oxidanylidene-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzonitrile CAS Name: 2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 2-[2-keto-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]ethoxy]benzonitrile Formula: C19H18F3N4O2+ MolecularWeight: 391.36703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)COC3=CC=CC=C3C#N

InChI

InChI=1S/C19H17F3N4O2/c20-19(21,22)15-5-6-17(24-12-15)25-7-9-26(10-8-25)18(27)13-28-16-4-2-1-3-14(16)11-23/h1-6,12H,7-10,13H2/p+1