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

Systemtic Name: 1-[3-(3-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-[1-benzyl-3-(m-tolyl)pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-[3-(3-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-[1-benzyl-3-(m-tolyl)pyrazol-4-yl]methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C23H28N5+ MolecularWeight: 374.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C=NN3CC[NH+](CC3)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2/C=N\N3CC[NH+](CC3)C)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5/c1-19-7-6-10-21(15-19)23-22(16-24-27-13-11-26(2)12-14-27)18-28(25-23)17-20-8-4-3-5-9-20/h3-10,15-16,18H,11-14,17H2,1-2H3/p+1/b24-16-