[(1S)-1-[2-bromanyl-5-(trifluoromethyl)phenyl]-2-ethyl-butyl]azanium

Systemtic Name: [(1S)-1-[2-bromanyl-5-(trifluoromethyl)phenyl]-2-ethyl-butyl]azanium Openeye Name: [(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-ethyl-butyl]ammonium CAS Name: [(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-ethylbutyl]ammonium IUPAC Name: [(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-ethylbutyl]azanium Traditional Name: [(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-ethyl-butyl]ammonium Formula: C13H18BrF3N+ MolecularWeight: 325.18793

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1=C(C=CC(=C1)C(F)(F)F)Br)[NH3+]

Isomeric SMILES

CCC(CC)[C@@H](C1=C(C=CC(=C1)C(F)(F)F)Br)[NH3+]

InChI

InChI=1S/C13H17BrF3N/c1-3-8(4-2)12(18)10-7-9(13(15,16)17)5-6-11(10)14/h5-8,12H,3-4,18H2,1-2H3/p+1/t12-/m0/s1