N-tert-butyl-2-[4-[1-(3-chlorophenyl)-5-ethyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[1-(3-chlorophenyl)-5-ethyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[1-(3-chlorophenyl)-5-ethyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[1-(3-chlorophenyl)-5-ethyl-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[1-(3-chlorophenyl)-5-ethyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C22H31ClN5O2+ MolecularWeight: 432.96684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C22H30ClN5O2/c1-5-19-18(14-24-28(19)17-8-6-7-16(23)13-17)21(30)27-11-9-26(10-12-27)15-20(29)25-22(2,3)4/h6-8,13-14H,5,9-12,15H2,1-4H3,(H,25,29)/p+1