[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[(4-pyrazol-1-ylphenyl)methyl]azanium

Systemtic Name: [5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[(4-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: [5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[(4-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: [5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[[4-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[(4-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-(4-pyrazol-1-ylbenzyl)ammonium Formula: C21H21FN5O+ MolecularWeight: 378.422743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]CC3=CC=C(C=C3)N4C=CC=N4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]CC3=CC=C(C=C3)N4C=CC=N4)F

InChI

InChI=1S/C21H20FN5O/c1-28-20-8-5-16(11-19(20)22)21-17(14-24-26-21)13-23-12-15-3-6-18(7-4-15)27-10-2-9-25-27/h2-11,14,23H,12-13H2,1H3,(H,24,26)/p+1