N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]ethanamide Openeye Name: N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetamide CAS Name: N-(3-acetamidophenyl)-2-[5-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-pyrazolyl]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetamide Traditional Name: N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetamide Formula: C20H27N6O3+ MolecularWeight: 399.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NC2=CC=CC(=C2)NC(=O)C)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)NC2=CC=CC(=C2)NC(=O)C)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H26N6O3/c1-14-11-18(20(29)25-9-7-24(3)8-10-25)23-26(14)13-19(28)22-17-6-4-5-16(12-17)21-15(2)27/h4-6,11-12H,7-10,13H2,1-3H3,(H,21,27)(H,22,28)/p+1