2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenecarbonitrile

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenecarbonitrile Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzonitrile CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]benzonitrile IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzonitrile Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazino)benzonitrile Formula: C16H17N4+ MolecularWeight: 265.33298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H16N4/c17-13-14-5-1-2-6-15(14)19-9-11-20(12-10-19)16-7-3-4-8-18-16/h1-8H,9-12H2/p+1