[(2S)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]oxyazanium bromide

Systemtic Name: [(2S)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]oxyazanium bromide Openeye Name: [(1S)-1-carboxy-3-phenyl-propoxy]ammonium bromide CAS Name: [(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]oxyammonium bromide IUPAC Name: [(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]oxyazanium bromide Traditional Name: [(1S)-1-carboxy-3-phenyl-propoxy]ammonium bromide Formula: C10H14BrNO3 MolecularWeight: 276.12706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)O[NH3+].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H](C(=O)O)O[NH3+].[Br-]

InChI

InChI=1S/C10H13NO3.BrH/c11-14-9(10(12)13)7-6-8-4-2-1-3-5-8;/h1-5,9H,6-7H2,11H3;1H/t9-;/m0./s1