2-[[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]methylidene]propanedinitrile

Systemtic Name: 2-[[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]methylidene]propanedinitrile Openeye Name: 2-[[2-(4-benzylpiperazin-4-ium-1-yl)phenyl]methylene]propanedinitrile CAS Name: 2-[[2-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]methylidene]propanedinitrile IUPAC Name: 2-[[2-(4-benzylpiperazin-4-ium-1-yl)phenyl]methylidene]propanedinitrile Traditional Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)benzylidene]malononitrile Formula: C21H21N4+ MolecularWeight: 329.41824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=CC=C3C=C(C#N)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=CC=C3C=C(C#N)C#N

InChI

InChI=1S/C21H20N4/c22-15-19(16-23)14-20-8-4-5-9-21(20)25-12-10-24(11-13-25)17-18-6-2-1-3-7-18/h1-9,14H,10-13,17H2/p+1