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

Systemtic Name: [3-(3-fluoranyl-4-methoxy-phenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl-methyl-(3-pyridylmethyl)ammonium CAS Name: [3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-4-pyrazolyl]methyl-methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl-methyl-(3-pyridylmethyl)ammonium Formula: C25H26FN4O+ MolecularWeight: 417.498543

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H25FN4O/c1-18-7-4-5-9-23(18)30-17-21(16-29(2)15-19-8-6-12-27-14-19)25(28-30)20-10-11-24(31-3)22(26)13-20/h4-14,17H,15-16H2,1-3H3/p+1