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

Systemtic Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanenitrile Openeye Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetonitrile CAS Name: 2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetonitrile Traditional Name: 2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetonitrile Formula: C10H14N5+ MolecularWeight: 204.25166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC#N)C2=NC=CC=N2

Isomeric SMILES

C1CN(CC[NH+]1CC#N)C2=NC=CC=N2

InChI

InChI=1S/C10H13N5/c11-2-5-14-6-8-15(9-7-14)10-12-3-1-4-13-10/h1,3-4H,5-9H2/p+1