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

Systemtic Name: 1-[[3-(3-fluoranyl-4-methoxy-phenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[[3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-4-pyrazolyl]methyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-methylpiperazin-4-ium Traditional Name: 1-[[3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium Formula: C23H28FN4O+ MolecularWeight: 395.493023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3)OC)F)CN4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3)OC)F)CN4CC[NH+](CC4)C

InChI

InChI=1S/C23H27FN4O/c1-17-6-4-5-7-21(17)28-16-19(15-27-12-10-26(2)11-13-27)23(25-28)18-8-9-22(29-3)20(24)14-18/h4-9,14,16H,10-13,15H2,1-3H3/p+1