[(1S)-1-(2-bromanyl-4,5-dimethoxy-phenyl)hexyl]azanium

Systemtic Name: [(1S)-1-(2-bromanyl-4,5-dimethoxy-phenyl)hexyl]azanium Openeye Name: [(1S)-1-(2-bromo-4,5-dimethoxy-phenyl)hexyl]ammonium CAS Name: [(1S)-1-(2-bromo-4,5-dimethoxyphenyl)hexyl]ammonium IUPAC Name: [(1S)-1-(2-bromo-4,5-dimethoxyphenyl)hexyl]azanium Traditional Name: [(1S)-1-(2-bromo-4,5-dimethoxy-phenyl)hexyl]ammonium Formula: C14H23BrNO2+ MolecularWeight: 317.24192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1Br)OC)OC)[NH3+]

Isomeric SMILES

CCCCC[C@@H](C1=CC(=C(C=C1Br)OC)OC)[NH3+]

InChI

InChI=1S/C14H22BrNO2/c1-4-5-6-7-12(16)10-8-13(17-2)14(18-3)9-11(10)15/h8-9,12H,4-7,16H2,1-3H3/p+1/t12-/m0/s1