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

Systemtic Name: [3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-(2-pyrazol-1-ylethyl)azanium Openeye Name: [3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-(2-pyrazol-1-ylethyl)ammonium CAS Name: [3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-(2-pyrazol-1-ylethyl)azanium Traditional Name: [3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-(2-pyrazol-1-ylethyl)ammonium Formula: C22H23FN5O+ MolecularWeight: 392.449323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH2+]CCN3C=CC=N3)C4=CC=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH2+]CCN3C=CC=N3)C4=CC=CC=C4)F

InChI

InChI=1S/C22H22FN5O/c1-29-19-8-9-20(21(23)14-19)22-17(15-24-11-13-27-12-5-10-25-27)16-28(26-22)18-6-3-2-4-7-18/h2-10,12,14,16,24H,11,13,15H2,1H3/p+1