3-(3-methylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(3-methylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-3-(m-tolyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(3-methylphenyl)-N-(4-methyl-1-piperazin-4-iumyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(3-methylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-3-(m-tolyl)-1-phenyl-pyrazole-4-carboxamide Formula: C22H26N5O+ MolecularWeight: 376.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O/c1-17-7-6-8-18(15-17)21-20(16-27(23-21)19-9-4-3-5-10-19)22(28)24-26-13-11-25(2)12-14-26/h3-10,15-16H,11-14H2,1-2H3,(H,24,28)/p+1