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

Systemtic Name: 4-[[3-(3-fluoranyl-4-methoxy-phenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one Openeye Name: 4-[[3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one CAS Name: 4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-4-pyrazolyl]methyl]-3,3-dimethyl-2-piperazin-4-iumone IUPAC Name: 4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3,3-dimethylpiperazin-4-ium-2-one Traditional Name: 4-[[3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one Formula: C24H28FN4O2+ MolecularWeight: 423.503123

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H27FN4O2/c1-16-7-5-6-8-20(16)29-15-18(14-28-12-11-26-23(30)24(28,2)3)22(27-29)17-9-10-21(31-4)19(25)13-17/h5-10,13,15H,11-12,14H2,1-4H3,(H,26,30)/p+1