2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]ethanamide

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[5-methyl-2-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]acetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[5-methyl-2-(p-tolyl)pyrazol-3-yl]acetamide Formula: C25H32N5O+ MolecularWeight: 418.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C25H31N5O/c1-18-8-10-22(11-9-18)30-24(16-20(3)27-30)26-25(31)17-28-12-14-29(15-13-28)23-7-5-6-19(2)21(23)4/h5-11,16H,12-15,17H2,1-4H3,(H,26,31)/p+1