1-[1-(2-methylphenyl)-3-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine

Systemtic Name: 1-[1-(2-methylphenyl)-3-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-1-[1-(o-tolyl)-3-phenyl-pyrazol-4-yl]methanimine CAS Name: 1-[1-(2-methylphenyl)-3-phenyl-4-pyrazolyl]-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-(4-methylpiperazin-4-ium-1-yl)-[[1-(o-tolyl)-3-phenyl-pyrazol-4-yl]methylene]amine Formula: C22H26N5+ MolecularWeight: 360.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=C(C(=N2)C3=CC=CC=C3)C=NN4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=CC=C1N2C=C(C(=N2)C3=CC=CC=C3)/C=N\N4CC[NH+](CC4)C

InChI

InChI=1S/C22H25N5/c1-18-8-6-7-11-21(18)27-17-20(16-23-26-14-12-25(2)13-15-26)22(24-27)19-9-4-3-5-10-19/h3-11,16-17H,12-15H2,1-2H3/p+1/b23-16-