[(2S)-3-[4-bromanyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-propyl]azanium

Systemtic Name: [(2S)-3-[4-bromanyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-propyl]azanium Openeye Name: [(2S)-3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-propyl]ammonium CAS Name: [(2S)-3-[4-bromo-3-(trifluoromethyl)-1-pyrazolyl]-2-methylpropyl]ammonium IUPAC Name: [(2S)-3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropyl]azanium Traditional Name: [(2S)-3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-propyl]ammonium Formula: C8H12BrF3N3+ MolecularWeight: 287.10019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH3+])CN1C=C(C(=N1)C(F)(F)F)Br

Isomeric SMILES

C[C@@H](C[NH3+])CN1C=C(C(=N1)C(F)(F)F)Br

InChI

InChI=1S/C8H11BrF3N3/c1-5(2-13)3-15-4-6(9)7(14-15)8(10,11)12/h4-5H,2-3,13H2,1H3/p+1/t5-/m0/s1