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

Systemtic Name: [3-(3-fluoranyl-4-methoxy-phenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-4-pyrazolyl]methyl-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C26H28FN4O+ MolecularWeight: 431.525123

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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)CCC4=CC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3)OC)F)C[NH+](C)CCC4=CC=CC=N4

InChI

InChI=1S/C26H27FN4O/c1-19-8-4-5-10-24(19)31-18-21(17-30(2)15-13-22-9-6-7-14-28-22)26(29-31)20-11-12-25(32-3)23(27)16-20/h4-12,14,16,18H,13,15,17H2,1-3H3/p+1