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

Systemtic Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-[4-(4-ethylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-3-pyrazolyl]-2-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C25H32N7O2+ MolecularWeight: 462.56728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=NN3C4=NC(=CC(=N4)C)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=NN3C4=NC(=CC(=N4)C)C)C

InChI

InChI=1S/C25H31N7O2/c1-5-20-6-8-21(9-7-20)24(34)31-12-10-30(11-13-31)16-23(33)28-22-15-19(4)29-32(22)25-26-17(2)14-18(3)27-25/h6-9,14-15H,5,10-13,16H2,1-4H3,(H,28,33)/p+1