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

Systemtic Name: [(1S,2S)-1-(2-bromanyl-4,5-dimethoxy-phenyl)-2-ethyl-hexyl]azanium Openeye Name: [(1S,2S)-1-(2-bromo-4,5-dimethoxy-phenyl)-2-ethyl-hexyl]ammonium CAS Name: [(1S,2S)-1-(2-bromo-4,5-dimethoxyphenyl)-2-ethylhexyl]ammonium IUPAC Name: [(1S,2S)-1-(2-bromo-4,5-dimethoxyphenyl)-2-ethylhexyl]azanium Traditional Name: [(1S,2S)-1-(2-bromo-4,5-dimethoxy-phenyl)-2-ethyl-hexyl]ammonium Formula: C16H27BrNO2+ MolecularWeight: 345.29508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26BrNO2/c1-5-7-8-11(6-2)16(18)12-9-14(19-3)15(20-4)10-13(12)17/h9-11,16H,5-8,18H2,1-4H3/p+1/t11-,16-/m0/s1