2-oxidanyl-2-phosphono-3-[1-(2-sulfanylethyl)pyridin-1-ium-3-yl]propanoic acid

Systemtic Name: 2-oxidanyl-2-phosphono-3-[1-(2-sulfanylethyl)pyridin-1-ium-3-yl]propanoic acid Openeye Name: 2-hydroxy-2-phosphono-3-[1-(2-sulfanylethyl)pyridin-1-ium-3-yl]propanoic acid CAS Name: 2-hydroxy-3-[1-(2-mercaptoethyl)-3-pyridin-1-iumyl]-2-phosphonopropanoic acid IUPAC Name: 2-hydroxy-2-phosphono-3-[1-(2-sulfanylethyl)pyridin-1-ium-3-yl]propanoic acid Traditional Name: 2-hydroxy-3-[1-(2-mercaptoethyl)pyridin-1-ium-3-yl]-2-phosphono-propionic acid Formula: C10H15NO6PS+ MolecularWeight: 308.267961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCS)CC(C(=O)O)(O)P(=O)(O)O

Isomeric SMILES

C1=CC(=C[N+](=C1)CCS)CC(C(=O)O)(O)P(=O)(O)O

InChI

InChI=1S/C10H14NO6PS/c12-9(13)10(14,18(15,16)17)6-8-2-1-3-11(7-8)4-5-19/h1-3,7,14H,4-6H2,(H3-,12,13,15,16,17,19)/p+1