N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-3-pyrazolyl]-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C23H30N7O2+ MolecularWeight: 436.53

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4OC)C

InChI

InChI=1S/C23H29N7O2/c1-16-13-17(2)25-23(24-16)30-21(14-18(3)27-30)26-22(31)15-28-9-11-29(12-10-28)19-7-5-6-8-20(19)32-4/h5-8,13-14H,9-12,15H2,1-4H3,(H,26,31)/p+1