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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[5-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-pyrazolyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2C(=CC(=N2)C(=O)N3CC[NH+](CC3)C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2C(=CC(=N2)C(=O)N3CC[NH+](CC3)C)C)C

InChI

InChI=1S/C20H27N5O2/c1-14-6-5-7-17(16(14)3)21-19(26)13-25-15(2)12-18(22-25)20(27)24-10-8-23(4)9-11-24/h5-7,12H,8-11,13H2,1-4H3,(H,21,26)/p+1