methyl-[(2S)-2-oxidanyl-3-[(2-oxidanylidene-1,3-benzoxathiol-6-yl)oxy]propyl]azanium

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-[(2-oxidanylidene-1,3-benzoxathiol-6-yl)oxy]propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[(2-oxo-1,3-benzoxathiol-6-yl)oxy]propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[(2-oxo-1,3-benzoxathiol-6-yl)oxy]propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-[(2-oxo-1,3-benzoxathiol-6-yl)oxy]propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-[(2-keto-1,3-benzoxathiol-6-yl)oxy]propyl]-methyl-ammonium Formula: C11H14NO4S+ MolecularWeight: 256.29816

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(COC1=CC2=C(C=C1)SC(=O)O2)O

Isomeric SMILES

C[NH2+]C[C@@H](COC1=CC2=C(C=C1)SC(=O)O2)O

InChI

InChI=1S/C11H13NO4S/c1-12-5-7(13)6-15-8-2-3-10-9(4-8)16-11(14)17-10/h2-4,7,12-13H,5-6H2,1H3/p+1/t7-/m0/s1