[3-(3-fluoranyl-4-methoxy-phenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium

Systemtic Name: [3-(3-fluoranyl-4-methoxy-phenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium Openeye Name: [3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl-methyl-(pyrimidin-4-ylmethyl)ammonium CAS Name: [3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-4-pyrazolyl]methyl-methyl-(4-pyrimidinylmethyl)ammonium IUPAC Name: [3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium Traditional Name: [3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl-methyl-(4-pyrimidylmethyl)ammonium Formula: C24H25FN5O+ MolecularWeight: 418.486603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3)OC)F)C[NH+](C)CC4=NC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3)OC)F)C[NH+](C)CC4=NC=NC=C4

InChI

InChI=1S/C24H24FN5O/c1-17-6-4-5-7-22(17)30-14-19(13-29(2)15-20-10-11-26-16-27-20)24(28-30)18-8-9-23(31-3)21(25)12-18/h4-12,14,16H,13,15H2,1-3H3/p+1