3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide

Systemtic Name: 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-3-(p-tolyl)-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methyl-1-piperazin-4-iumyl)-4-pyrazolecarboxamide IUPAC Name: 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide Traditional Name: 1-(4-methylbenzyl)-N-(4-methylpiperazin-4-ium-1-yl)-3-(p-tolyl)pyrazole-4-carboxamide Formula: C24H30N5O+ MolecularWeight: 404.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(C=C3)C)C(=O)NN4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(C=C3)C)C(=O)NN4CC[NH+](CC4)C

InChI

InChI=1S/C24H29N5O/c1-18-4-8-20(9-5-18)16-29-17-22(23(25-29)21-10-6-19(2)7-11-21)24(30)26-28-14-12-27(3)13-15-28/h4-11,17H,12-16H2,1-3H3,(H,26,30)/p+1