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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[5-methyl-1-(p-tolyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[[5-methyl-1-(4-methylphenyl)-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[5-methyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[5-methyl-1-(p-tolyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C26H32N5O2+ MolecularWeight: 446.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC(=C4C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC(=C4C)C)C

InChI

InChI=1S/C26H31N5O2/c1-18-8-10-22(11-9-18)31-21(4)23(16-27-31)26(33)30-14-12-29(13-15-30)17-25(32)28-24-7-5-6-19(2)20(24)3/h5-11,16H,12-15,17H2,1-4H3,(H,28,32)/p+1