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

Systemtic Name: 3-(1-ethylpyridin-1-ium-2-yl)-2-oxidanyl-2-phosphono-propanoic acid Openeye Name: 3-(1-ethylpyridin-1-ium-2-yl)-2-hydroxy-2-phosphono-propanoic acid CAS Name: 3-(1-ethyl-2-pyridin-1-iumyl)-2-hydroxy-2-phosphonopropanoic acid IUPAC Name: 3-(1-ethylpyridin-1-ium-2-yl)-2-hydroxy-2-phosphonopropanoic acid Traditional Name: 3-(1-ethylpyridin-1-ium-2-yl)-2-hydroxy-2-phosphono-propionic acid Formula: C10H15NO6P+ MolecularWeight: 276.202961

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC=C1CC(C(=O)O)(O)P(=O)(O)O

Isomeric SMILES

CC[N+]1=CC=CC=C1CC(C(=O)O)(O)P(=O)(O)O

InChI

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