N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C23H27FN5O+ MolecularWeight: 408.491783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN5O/c1-17-23(18(2)29(26-17)21-6-4-3-5-7-21)25-22(30)16-27-12-14-28(15-13-27)20-10-8-19(24)9-11-20/h3-11H,12-16H2,1-2H3,(H,25,30)/p+1