2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(1-phenyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C18H21N6+ MolecularWeight: 321.39954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN(N=C2)C3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN(N=C2)C3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C18H20N6/c1-2-5-17(6-3-1)24-15-16(13-21-24)14-22-9-11-23(12-10-22)18-19-7-4-8-20-18/h1-8,13,15H,9-12,14H2/p+1