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

Systemtic Name: [(1S)-1-(3-bromanyl-5-chloranyl-2-methoxy-phenyl)hexyl]azanium Openeye Name: [(1S)-1-(3-bromo-5-chloro-2-methoxy-phenyl)hexyl]ammonium CAS Name: [(1S)-1-(3-bromo-5-chloro-2-methoxyphenyl)hexyl]ammonium IUPAC Name: [(1S)-1-(3-bromo-5-chloro-2-methoxyphenyl)hexyl]azanium Traditional Name: [(1S)-1-(3-bromo-5-chloro-2-methoxy-phenyl)hexyl]ammonium Formula: C13H20BrClNO+ MolecularWeight: 321.661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrClNO/c1-3-4-5-6-12(16)10-7-9(15)8-11(14)13(10)17-2/h7-8,12H,3-6,16H2,1-2H3/p+1/t12-/m0/s1