[(1S,2S)-1-(3-bromanyl-5-chloranyl-2-methoxy-phenyl)-2-ethyl-hexyl]azanium

Systemtic Name: [(1S,2S)-1-(3-bromanyl-5-chloranyl-2-methoxy-phenyl)-2-ethyl-hexyl]azanium Openeye Name: [(1S,2S)-1-(3-bromo-5-chloro-2-methoxy-phenyl)-2-ethyl-hexyl]ammonium CAS Name: [(1S,2S)-1-(3-bromo-5-chloro-2-methoxyphenyl)-2-ethylhexyl]ammonium IUPAC Name: [(1S,2S)-1-(3-bromo-5-chloro-2-methoxyphenyl)-2-ethylhexyl]azanium Traditional Name: [(1S,2S)-1-(3-bromo-5-chloro-2-methoxy-phenyl)-2-ethyl-hexyl]ammonium Formula: C15H24BrClNO+ MolecularWeight: 349.71416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(C1=CC(=CC(=C1OC)Br)Cl)[NH3+]

Isomeric SMILES

CCCC[C@H](CC)[C@@H](C1=CC(=CC(=C1OC)Br)Cl)[NH3+]

InChI

InChI=1S/C15H23BrClNO/c1-4-6-7-10(5-2)14(18)12-8-11(17)9-13(16)15(12)19-3/h8-10,14H,4-7,18H2,1-3H3/p+1/t10-,14-/m0/s1