(2-azanyl-2-oxidanylidene-ethyl)-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]azanium Openeye Name: (2-amino-2-oxo-ethyl)-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: (2-amino-2-oxoethyl)-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]ammonium IUPAC Name: (2-amino-2-oxoethyl)-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]azanium Traditional Name: (2-amino-2-keto-ethyl)-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C12H14FN4O+ MolecularWeight: 249.264163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=NN2)C[NH2+]CC(=O)N)F

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=NN2)C[NH2+]CC(=O)N)F

InChI

InChI=1S/C12H13FN4O/c13-10-3-1-8(2-4-10)12-9(6-16-17-12)5-15-7-11(14)18/h1-4,6,15H,5,7H2,(H2,14,18)(H,16,17)/p+1