[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-phenethyl-(phenylmethyl)azanium

Systemtic Name: [5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-phenethyl-ammonium CAS Name: [5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-phenethylazanium Traditional Name: benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-phenethyl-ammonium Formula: C25H25FN3+ MolecularWeight: 386.484503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH+](CC2=CC=CC=C2)CC3=C(NN=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CC[NH+](CC2=CC=CC=C2)CC3=C(NN=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FN3/c26-24-13-11-22(12-14-24)25-23(17-27-28-25)19-29(18-21-9-5-2-6-10-21)16-15-20-7-3-1-4-8-20/h1-14,17H,15-16,18-19H2,(H,27,28)/p+1