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

Systemtic Name: [(1S,2S)-1-[2-bromanyl-5-(trifluoromethyl)phenyl]-2-ethyl-hexyl]azanium Openeye Name: [(1S,2S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-ethyl-hexyl]ammonium CAS Name: [(1S,2S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-ethylhexyl]ammonium IUPAC Name: [(1S,2S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-ethylhexyl]azanium Traditional Name: [(1S,2S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-ethyl-hexyl]ammonium Formula: C15H22BrF3N+ MolecularWeight: 353.24109

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrF3N/c1-3-5-6-10(4-2)14(20)12-9-11(15(17,18)19)7-8-13(12)16/h7-10,14H,3-6,20H2,1-2H3/p+1/t10-,14-/m0/s1