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

Systemtic Name: 1-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-[3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-[3-(2,4-dimethylphenyl)-1-phenyl-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(=C(C=C1)C2=NN(C=C2C=NN3CC[NH+](CC3)C)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5/c1-18-9-10-22(19(2)15-18)23-20(16-24-27-13-11-26(3)12-14-27)17-28(25-23)21-7-5-4-6-8-21/h4-10,15-17H,11-14H2,1-3H3/p+1/b24-16-