[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(3S)-2-oxidanylideneoxolan-3-yl]azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(3S)-2-oxidanylideneoxolan-3-yl]azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[(3S)-2-oxotetrahydrofuran-3-yl]ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(3S)-2-oxo-3-oxolanyl]ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(3S)-2-oxooxolan-3-yl]azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[(3S)-2-ketotetrahydrofuran-3-yl]ammonium Formula: C13H17BrNO3+ MolecularWeight: 315.18298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]C2CCOC2=O

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+][C@H]2CCOC2=O

InChI

InChI=1S/C13H16BrNO3/c1-2-10(15-11-5-6-18-13(11)17)9-7-8(14)3-4-12(9)16/h3-4,7,10-11,15-16H,2,5-6H2,1H3/p+1/t10-,11-/m0/s1