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

Systemtic Name: [3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl-(2-imidazol-1-ylethyl)azanium Openeye Name: [3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl-(2-imidazol-1-ylethyl)ammonium CAS Name: [3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl-[2-(1-imidazolyl)ethyl]ammonium IUPAC Name: [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl-(2-imidazol-1-ylethyl)azanium Traditional Name: [3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl-(2-imidazol-1-ylethyl)ammonium Formula: C21H21FN5+ MolecularWeight: 362.423343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C[NH2+]CCN4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C[NH2+]CCN4C=CN=C4

InChI

InChI=1S/C21H20FN5/c22-19-8-6-17(7-9-19)21-18(14-23-10-12-26-13-11-24-16-26)15-27(25-21)20-4-2-1-3-5-20/h1-9,11,13,15-16,23H,10,12,14H2/p+1