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

Systemtic Name: 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[[3-(4-fluorophenyl)-1-(p-tolyl)pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-4-methylpiperazin-4-ium Traditional Name: 1-[[3-(4-fluorophenyl)-1-(p-tolyl)pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium Formula: C22H26FN4+ MolecularWeight: 365.467043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CN4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CN4CC[NH+](CC4)C

InChI

InChI=1S/C22H25FN4/c1-17-3-9-21(10-4-17)27-16-19(15-26-13-11-25(2)12-14-26)22(24-27)18-5-7-20(23)8-6-18/h3-10,16H,11-15H2,1-2H3/p+1