N-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-pyridin-3-yl-methanimine

Systemtic Name: N-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-pyridin-3-yl-methanimine Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-pyridyl)methanimine CAS Name: N-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-(3-pyridinyl)methanimine IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-pyridin-3-ylmethanimine Traditional Name: (E)-(4-benzylpiperazin-4-ium-1-yl)-(3-pyridylmethylene)amine Formula: C17H21N4+ MolecularWeight: 281.37544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)N=CC3=CN=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)/N=C/C3=CN=CC=C3

InChI

InChI=1S/C17H20N4/c1-2-5-16(6-3-1)15-20-9-11-21(12-10-20)19-14-17-7-4-8-18-13-17/h1-8,13-14H,9-12,15H2/p+1/b19-14+