4-[[3-(3-fluoranyl-4-methoxy-phenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[3-(3-fluoranyl-4-methoxy-phenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-4-pyrazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C22H24FN4O2+ MolecularWeight: 395.449963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3)OC)F)C[NH+]4CCNC(=O)C4

Isomeric SMILES

CC1=CC=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3)OC)F)C[NH+]4CCNC(=O)C4

InChI

InChI=1S/C22H23FN4O2/c1-15-5-3-4-6-19(15)27-13-17(12-26-10-9-24-21(28)14-26)22(25-27)16-7-8-20(29-2)18(23)11-16/h3-8,11,13H,9-10,12,14H2,1-2H3,(H,24,28)/p+1