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

Systemtic Name: [3-(3-fluoranyl-4-methoxy-phenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-(2-methoxy-2-oxidanylidene-ethyl)-methyl-azanium Openeye Name: [3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl-(2-methoxy-2-oxo-ethyl)-methyl-ammonium CAS Name: [3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-4-pyrazolyl]methyl-(2-methoxy-2-oxoethyl)-methylammonium IUPAC Name: [3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-(2-methoxy-2-oxoethyl)-methylazanium Traditional Name: [3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl-(2-keto-2-methoxy-ethyl)-methyl-ammonium Formula: C22H25FN3O3+ MolecularWeight: 398.450603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24FN3O3/c1-15-7-5-6-8-19(15)26-13-17(12-25(2)14-21(27)29-4)22(24-26)16-9-10-20(28-3)18(23)11-16/h5-11,13H,12,14H2,1-4H3/p+1