3-(2,4-dimethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(2,4-dimethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(2,4-dimethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(2,4-dimethylphenyl)-N-(4-methyl-1-piperazin-4-iumyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(2,4-dimethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(2,4-dimethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxamide Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O/c1-17-9-10-20(18(2)15-17)22-21(16-28(24-22)19-7-5-4-6-8-19)23(29)25-27-13-11-26(3)12-14-27/h4-10,15-16H,11-14H2,1-3H3,(H,25,29)/p+1