3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide Openeye Name: 3,5-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-methyl-1-piperazin-4-iumyl)-4-pyrazolecarboxamide IUPAC Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide Traditional Name: 3,5-dimethyl-1-(4-methylbenzyl)-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide Formula: C19H28N5O+ MolecularWeight: 342.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NN3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NN3CC[NH+](CC3)C)C

InChI

InChI=1S/C19H27N5O/c1-14-5-7-17(8-6-14)13-24-16(3)18(15(2)20-24)19(25)21-23-11-9-22(4)10-12-23/h5-8H,9-13H2,1-4H3,(H,21,25)/p+1