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

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanenitrile Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetonitrile CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetonitrile Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetonitrile Formula: C11H16N4+2 MolecularWeight: 204.27154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4/c12-4-6-14-7-9-15(10-8-14)11-3-1-2-5-13-11/h1-3,5H,6-10H2/p+2