[(1S,2S)-1-(4-bromophenyl)-2-ethyl-hexyl]azanium

Systemtic Name: [(1S,2S)-1-(4-bromophenyl)-2-ethyl-hexyl]azanium Openeye Name: [(1S,2S)-1-(4-bromophenyl)-2-ethyl-hexyl]ammonium CAS Name: [(1S,2S)-1-(4-bromophenyl)-2-ethylhexyl]ammonium IUPAC Name: [(1S,2S)-1-(4-bromophenyl)-2-ethylhexyl]azanium Traditional Name: [(1S,2S)-1-(4-bromophenyl)-2-ethyl-hexyl]ammonium Formula: C14H23BrN+ MolecularWeight: 285.24312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22BrN/c1-3-5-6-11(4-2)14(16)12-7-9-13(15)10-8-12/h7-11,14H,3-6,16H2,1-2H3/p+1/t11-,14-/m0/s1