2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanenitrile

Systemtic Name: 2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanenitrile Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)acetonitrile CAS Name: 2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetonitrile IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)acetonitrile Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)acetonitrile Formula: C13H19N3+2 MolecularWeight: 217.31006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC#N)CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CC[NH+]1CC#N)CC2=CC=CC=C2

InChI

InChI=1S/C13H17N3/c14-6-7-15-8-10-16(11-9-15)12-13-4-2-1-3-5-13/h1-5H,7-12H2/p+2