N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C22H28N7O+ MolecularWeight: 406.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C22H27N7O/c1-16-5-7-19(8-6-16)29-18(3)21(17(2)26-29)25-20(30)15-27-11-13-28(14-12-27)22-23-9-4-10-24-22/h4-10H,11-15H2,1-3H3,(H,25,30)/p+1