N-tert-butyl-2-[4-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl]piperazin-1-ium-1-yl]acetamide Formula: C22H33N6O2+ MolecularWeight: 413.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CN2CC[NH+](CC2)CC(=O)NC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CN2CC[NH+](CC2)CC(=O)NC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H32N6O2/c1-17-14-19(28(25-17)18-8-6-5-7-9-18)23-20(29)15-26-10-12-27(13-11-26)16-21(30)24-22(2,3)4/h5-9,14H,10-13,15-16H2,1-4H3,(H,23,29)(H,24,30)/p+1