(2R)-2-azanyl-3-[(1-oxidanidylpyridin-1-ium-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: (2R)-2-azanyl-3-[(1-oxidanidylpyridin-1-ium-2-yl)methylsulfanyl]propanoic acid Openeye Name: (2R)-2-amino-3-[(1-oxidopyridin-1-ium-2-yl)methylsulfanyl]propanoic acid CAS Name: (2R)-2-amino-3-[(1-oxido-2-pyridin-1-iumyl)methylthio]propanoic acid IUPAC Name: (2R)-2-amino-3-[(1-oxidopyridin-1-ium-2-yl)methylsulfanyl]propanoic acid Traditional Name: (2R)-2-amino-3-[(1-oxidopyridin-1-ium-2-yl)methylthio]propionic acid Formula: C9H12N2O3S MolecularWeight: 228.26818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)CSCC(C(=O)O)N)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)CSC[C@@H](C(=O)O)N)[O-]

InChI

InChI=1S/C9H12N2O3S/c10-8(9(12)13)6-15-5-7-3-1-2-4-11(7)14/h1-4,8H,5-6,10H2,(H,12,13)/t8-/m0/s1