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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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