[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(2R)-1-methoxypropan-2-yl]azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(2R)-1-methoxypropan-2-yl]azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[(1R)-2-methoxy-1-methyl-ethyl]ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(2R)-1-methoxypropan-2-yl]ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(2R)-1-methoxypropan-2-yl]azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[(1R)-2-methoxy-1-methyl-ethyl]ammonium Formula: C13H21BrNO2+ MolecularWeight: 303.21534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]C(C)COC

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+][C@H](C)COC

InChI

InChI=1S/C13H20BrNO2/c1-4-12(15-9(2)8-17-3)11-7-10(14)5-6-13(11)16/h5-7,9,12,15-16H,4,8H2,1-3H3/p+1/t9-,12+/m1/s1