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

Systemtic Name: 4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[3-(3-fluorophenyl)-1-(m-tolyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)-4-pyrazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[3-(3-fluorophenyl)-1-(m-tolyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C21H22FN4O+ MolecularWeight: 365.423983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)C[NH+]4CCNC(=O)C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)C[NH+]4CCNC(=O)C4

InChI

InChI=1S/C21H21FN4O/c1-15-4-2-7-19(10-15)26-13-17(12-25-9-8-23-20(27)14-25)21(24-26)16-5-3-6-18(22)11-16/h2-7,10-11,13H,8-9,12,14H2,1H3,(H,23,27)/p+1