3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]pyrazine-2-carbonitrile

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]pyrazine-2-carbonitrile Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)pyrazine-2-carbonitrile CAS Name: 3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-pyrazinecarbonitrile IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)pyrazine-2-carbonitrile Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)pyrazinonitrile Formula: C22H22N5+ MolecularWeight: 356.44358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=CN=C4C#N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=CN=C4C#N

InChI

InChI=1S/C22H21N5/c23-17-20-22(25-12-11-24-20)27-15-13-26(14-16-27)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,21H,13-16H2/p+1