4-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1,4-oxazepan-4-ium

Systemtic Name: 4-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1,4-oxazepan-4-ium Openeye Name: 4-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1,4-oxazepan-4-ium CAS Name: 4-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1,4-oxazepan-4-ium IUPAC Name: 4-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1,4-oxazepan-4-ium Traditional Name: 4-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1,4-oxazepan-4-ium Formula: C15H19FN3O+ MolecularWeight: 276.329263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCOC1)CC2=C(NN=C2)C3=CC=CC=C3F

Isomeric SMILES

C1C[NH+](CCOC1)CC2=C(NN=C2)C3=CC=CC=C3F

InChI

InChI=1S/C15H18FN3O/c16-14-5-2-1-4-13(14)15-12(10-17-18-15)11-19-6-3-8-20-9-7-19/h1-2,4-5,10H,3,6-9,11H2,(H,17,18)/p+1