[2-fluoranyl-5-(trifluoromethyl)phenyl]methyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]azanium

Systemtic Name: [2-fluoranyl-5-(trifluoromethyl)phenyl]methyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]azanium Openeye Name: [2-fluoro-5-(trifluoromethyl)phenyl]methyl-[[5-(1-naphthyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: [2-fluoro-5-(trifluoromethyl)phenyl]methyl-[[5-(1-naphthalenyl)-1H-pyrazol-4-yl]methyl]ammonium IUPAC Name: [2-fluoro-5-(trifluoromethyl)phenyl]methyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]azanium Traditional Name: [2-fluoro-5-(trifluoromethyl)benzyl]-[[5-(1-naphthyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C22H18F4N3+ MolecularWeight: 400.392033

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=C(C=NN3)C[NH2+]CC4=C(C=CC(=C4)C(F)(F)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=C(C=NN3)C[NH2+]CC4=C(C=CC(=C4)C(F)(F)F)F

InChI

InChI=1S/C22H17F4N3/c23-20-9-8-17(22(24,25)26)10-15(20)11-27-12-16-13-28-29-21(16)19-7-3-5-14-4-1-2-6-18(14)19/h1-10,13,27H,11-12H2,(H,28,29)/p+1