3-(1-ethylpyridin-1-ium-3-yl)-2-oxidanyl-2-phosphono-propanoic acid chloride

Systemtic Name: 3-(1-ethylpyridin-1-ium-3-yl)-2-oxidanyl-2-phosphono-propanoic acid chloride Openeye Name: 3-(1-ethylpyridin-1-ium-3-yl)-2-hydroxy-2-phosphono-propanoic acid chloride CAS Name: 3-(1-ethyl-3-pyridin-1-iumyl)-2-hydroxy-2-phosphonopropanoic acid chloride IUPAC Name: 3-(1-ethylpyridin-1-ium-3-yl)-2-hydroxy-2-phosphonopropanoic acid chloride Traditional Name: 3-(1-ethylpyridin-1-ium-3-yl)-2-hydroxy-2-phosphono-propionic acid chloride Formula: C10H15ClNO6P MolecularWeight: 311.655961

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC(=C1)CC(C(=O)O)(O)P(=O)(O)O.[Cl-]

Isomeric SMILES

CC[N+]1=CC=CC(=C1)CC(C(=O)O)(O)P(=O)(O)O.[Cl-]

InChI

InChI=1S/C10H14NO6P.ClH/c1-2-11-5-3-4-8(7-11)6-10(14,9(12)13)18(15,16)17;/h3-5,7,14H,2,6H2,1H3,(H2-,12,13,15,16,17);1H