2-[5-[4-(4-fluoranylphenoxy)phenyl]pyrazol-1-yl]-1-(1-methylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 2-[5-[4-(4-fluoranylphenoxy)phenyl]pyrazol-1-yl]-1-(1-methylpiperazin-1-ium-1-yl)ethanone Openeye Name: 2-[5-[4-(4-fluorophenoxy)phenyl]pyrazol-1-yl]-1-(1-methylpiperazin-1-ium-1-yl)ethanone CAS Name: 2-[5-[4-(4-fluorophenoxy)phenyl]-1-pyrazolyl]-1-(1-methyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 2-[5-[4-(4-fluorophenoxy)phenyl]pyrazol-1-yl]-1-(1-methylpiperazin-1-ium-1-yl)ethanone Traditional Name: 2-[5-[4-(4-fluorophenoxy)phenyl]pyrazol-1-yl]-1-(1-methylpiperazin-1-ium-1-yl)ethanone Formula: C22H24FN4O2+ MolecularWeight: 395.449963

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)C(=O)CN2C(=CC=N2)C3=CC=C(C=C3)OC4=CC=C(C=C4)F

Isomeric SMILES

C[N+]1(CCNCC1)C(=O)CN2C(=CC=N2)C3=CC=C(C=C3)OC4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN4O2/c1-27(14-12-24-13-15-27)22(28)16-26-21(10-11-25-26)17-2-6-19(7-3-17)29-20-8-4-18(23)5-9-20/h2-11,24H,12-16H2,1H3/q+1