4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]-1,4-oxazepan-4-ium

Systemtic Name: 4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]-1,4-oxazepan-4-ium Openeye Name: 4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]-1,4-oxazepan-4-ium CAS Name: 4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]-1,4-oxazepan-4-ium IUPAC Name: 4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]-1,4-oxazepan-4-ium Traditional Name: 4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]-1,4-oxazepan-4-ium Formula: C10H15F3N3O+ MolecularWeight: 250.24081

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCOC1)CC2=CC(=NN2)C(F)(F)F

Isomeric SMILES

C1C[NH+](CCOC1)CC2=CC(=NN2)C(F)(F)F

InChI

InChI=1S/C10H14F3N3O/c11-10(12,13)9-6-8(14-15-9)7-16-2-1-4-17-5-3-16/h6H,1-5,7H2,(H,14,15)/p+1