bis[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]azanium

Systemtic Name: bis[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]azanium Openeye Name: bis[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium CAS Name: bis[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]ammonium IUPAC Name: bis[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]azanium Traditional Name: bis[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium Formula: C32H26F2N5+ MolecularWeight: 518.579146

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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+]CC4=CN(N=C4C5=CC=C(C=C5)F)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C[NH2+]CC4=CN(N=C4C5=CC=C(C=C5)F)C6=CC=CC=C6

InChI

InChI=1S/C32H25F2N5/c33-27-15-11-23(12-16-27)31-25(21-38(36-31)29-7-3-1-4-8-29)19-35-20-26-22-39(30-9-5-2-6-10-30)37-32(26)24-13-17-28(34)18-14-24/h1-18,21-22,35H,19-20H2/p+1