1-[3-fluoranyl-4-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[[4-(1-pyrazolyl)phenyl]methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-(4-pyrazol-1-ylbenzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C22H24FN4O+ MolecularWeight: 379.450563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)N4C=CC=N4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)N4C=CC=N4)F

InChI

InChI=1S/C22H23FN4O/c1-17(28)19-5-8-22(21(23)15-19)26-13-11-25(12-14-26)16-18-3-6-20(7-4-18)27-10-2-9-24-27/h2-10,15H,11-14,16H2,1H3/p+1