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

Systemtic Name: [(1S,2S)-1-(5-bromanyl-2-methoxy-phenyl)-2-ethyl-hexyl]azanium Openeye Name: [(1S,2S)-1-(5-bromo-2-methoxy-phenyl)-2-ethyl-hexyl]ammonium CAS Name: [(1S,2S)-1-(5-bromo-2-methoxyphenyl)-2-ethylhexyl]ammonium IUPAC Name: [(1S,2S)-1-(5-bromo-2-methoxyphenyl)-2-ethylhexyl]azanium Traditional Name: [(1S,2S)-1-(5-bromo-2-methoxy-phenyl)-2-ethyl-hexyl]ammonium Formula: C15H25BrNO+ MolecularWeight: 315.2691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24BrNO/c1-4-6-7-11(5-2)15(17)13-10-12(16)8-9-14(13)18-3/h8-11,15H,4-7,17H2,1-3H3/p+1/t11-,15-/m0/s1