N-(4-methylpiperazin-4-ium-1-yl)-1-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methanimine

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-1-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methanimine Openeye Name: 1-(1-benzyl-3-phenyl-pyrazol-4-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-1-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methanimine IUPAC Name: 1-(1-benzyl-3-phenylpyrazol-4-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-(1-benzyl-3-phenyl-pyrazol-4-yl)methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C22H26N5+ MolecularWeight: 360.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5/c1-25-12-14-26(15-13-25)23-16-21-18-27(17-19-8-4-2-5-9-19)24-22(21)20-10-6-3-7-11-20/h2-11,16,18H,12-15,17H2,1H3/p+1/b23-16-