(E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-1-(4-methyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C23H24FN4O+ MolecularWeight: 391.461263

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C=C/C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C23H23FN4O/c1-26-13-15-27(16-14-26)22(29)12-9-19-17-28(21-5-3-2-4-6-21)25-23(19)18-7-10-20(24)11-8-18/h2-12,17H,13-16H2,1H3/p+1/b12-9+