N-cyclopropyl-2-[4-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C22H31N6O2+ MolecularWeight: 411.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CN3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CN3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C22H30N6O2/c1-16-22(17(2)28(25-16)19-6-4-3-5-7-19)24-21(30)15-27-12-10-26(11-13-27)14-20(29)23-18-8-9-18/h3-7,18H,8-15H2,1-2H3,(H,23,29)(H,24,30)/p+1