N-tert-butyl-2-[4-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(5-chloro-1-isobutyl-3-methyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(5-chloro-1-isobutyl-3-methyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C19H33ClN5O2+ MolecularWeight: 398.95062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C)Cl)CC(C)C

InChI

InChI=1S/C19H32ClN5O2/c1-13(2)11-25-17(20)16(14(3)22-25)18(27)24-9-7-23(8-10-24)12-15(26)21-19(4,5)6/h13H,7-12H2,1-6H3,(H,21,26)/p+1