1-(2,6-dimethylpyridin-1-ium-4-yl)-4-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(2,6-dimethylpyridin-1-ium-4-yl)-4-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-(2,6-dimethylpyridin-1-ium-4-yl)-4-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-(2,6-dimethyl-4-pyridin-1-iumyl)-4-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]piperazin-4-ium IUPAC Name: 1-(2,6-dimethylpyridin-1-ium-4-yl)-4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-(2,6-dimethylpyridin-1-ium-4-yl)-4-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C22H28FN5+2 MolecularWeight: 381.489623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[NH+]1)C)N2CC[NH+](CC2)CC3=CN(N=C3C4=CC=CC=C4F)C

Isomeric SMILES

CC1=CC(=CC(=[NH+]1)C)N2CC[NH+](CC2)CC3=CN(N=C3C4=CC=CC=C4F)C

InChI

InChI=1S/C22H26FN5/c1-16-12-19(13-17(2)24-16)28-10-8-27(9-11-28)15-18-14-26(3)25-22(18)20-6-4-5-7-21(20)23/h4-7,12-14H,8-11,15H2,1-3H3/p+2