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

Systemtic Name: N-(4-fluorophenyl)-2-[4-[(3-phenyl-1H-pyrazol-5-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[oxo-(3-phenyl-1H-pyrazol-5-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H23FN5O2+ MolecularWeight: 408.448723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C22H22FN5O2/c23-17-6-8-18(9-7-17)24-21(29)15-27-10-12-28(13-11-27)22(30)20-14-19(25-26-20)16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,24,29)(H,25,26)/p+1