[(2S,3S)-1-methoxy-3-oxidanyl-1-oxidanylidene-7-phenylmethoxy-heptan-2-yl]azanium chloride

Systemtic Name: [(2S,3S)-1-methoxy-3-oxidanyl-1-oxidanylidene-7-phenylmethoxy-heptan-2-yl]azanium chloride Openeye Name: [(1S,2S)-6-benzyloxy-2-hydroxy-1-methoxycarbonyl-hexyl]ammonium chloride CAS Name: [(2S,3S)-3-hydroxy-1-methoxy-1-oxo-7-phenylmethoxyheptan-2-yl]ammonium chloride IUPAC Name: [(2S,3S)-3-hydroxy-1-methoxy-1-oxo-7-phenylmethoxyheptan-2-yl]azanium chloride Traditional Name: [(1S,2S)-6-benzoxy-1-carbomethoxy-2-hydroxy-hexyl]ammonium chloride Formula: C15H24ClNO4 MolecularWeight: 317.80836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(CCCCOCC1=CC=CC=C1)O)[NH3+].[Cl-]

Isomeric SMILES

COC(=O)[C@H]([C@H](CCCCOCC1=CC=CC=C1)O)[NH3+].[Cl-]

InChI

InChI=1S/C15H23NO4.ClH/c1-19-15(18)14(16)13(17)9-5-6-10-20-11-12-7-3-2-4-8-12;/h2-4,7-8,13-14,17H,5-6,9-11,16H2,1H3;1H/t13-,14-;/m0./s1