[(1S,2S)-1-(5-bromanyl-2-methoxy-phenyl)-2-methyl-butyl]azanium

Systemtic Name: [(1S,2S)-1-(5-bromanyl-2-methoxy-phenyl)-2-methyl-butyl]azanium Openeye Name: [(1S,2S)-1-(5-bromo-2-methoxy-phenyl)-2-methyl-butyl]ammonium CAS Name: [(1S,2S)-1-(5-bromo-2-methoxyphenyl)-2-methylbutyl]ammonium IUPAC Name: [(1S,2S)-1-(5-bromo-2-methoxyphenyl)-2-methylbutyl]azanium Traditional Name: [(1S,2S)-1-(5-bromo-2-methoxy-phenyl)-2-methyl-butyl]ammonium Formula: C12H19BrNO+ MolecularWeight: 273.18936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18BrNO/c1-4-8(2)12(14)10-7-9(13)5-6-11(10)15-3/h5-8,12H,4,14H2,1-3H3/p+1/t8-,12-/m0/s1