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

Systemtic Name: 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium Openeye Name: 1-[[3-(3-fluorophenyl)-1-(m-tolyl)pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium CAS Name: 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)-4-pyrazolyl]methyl]-4-(4-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-ylpiperazin-1-ium Traditional Name: 1-[[3-(3-fluorophenyl)-1-(m-tolyl)pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium Formula: C26H28FN5+2 MolecularWeight: 429.532423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)C[NH+]4CCN(CC4)C5=CC=[NH+]C=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)C[NH+]4CCN(CC4)C5=CC=[NH+]C=C5

InChI

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