1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[[3-(3-fluorophenyl)-1-(m-tolyl)pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)-4-pyrazolyl]methyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-[[3-(3-fluorophenyl)-1-(m-tolyl)pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-yl-piperazine Formula: C26H27FN5+ MolecularWeight: 428.524483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)CN4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=CC(=CC=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)CN4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H26FN5/c1-20-6-4-9-24(16-20)32-19-22(26(29-32)21-7-5-8-23(27)17-21)18-30-12-14-31(15-13-30)25-10-2-3-11-28-25/h2-11,16-17,19H,12-15,18H2,1H3/p+1