[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(2-pyrazol-1-ylethyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)C[NH2+]CCN4C=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)C[NH2+]CCN4C=CC=N4

InChI

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