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

Systemtic Name: 2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]ethanamide Openeye Name: 2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide CAS Name: 2-[5-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-pyrazolyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide IUPAC Name: 2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide Traditional Name: 2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NC(C)CCC2=CC=CC=C2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)N[C@H](C)CCC2=CC=CC=C2)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H31N5O2/c1-17(9-10-19-7-5-4-6-8-19)23-21(28)16-27-18(2)15-20(24-27)22(29)26-13-11-25(3)12-14-26/h4-8,15,17H,9-14,16H2,1-3H3,(H,23,28)/p+1/t17-/m1/s1