3-(1-methylpyridin-1-ium-3-yl)-2-phosphono-propanoic acid

Systemtic Name: 3-(1-methylpyridin-1-ium-3-yl)-2-phosphono-propanoic acid Openeye Name: 3-(1-methylpyridin-1-ium-3-yl)-2-phosphono-propanoic acid CAS Name: 3-(1-methyl-3-pyridin-1-iumyl)-2-phosphonopropanoic acid IUPAC Name: 3-(1-methylpyridin-1-ium-3-yl)-2-phosphonopropanoic acid Traditional Name: 3-(1-methylpyridin-1-ium-3-yl)-2-phosphono-propionic acid Formula: C9H13NO5P+ MolecularWeight: 246.176981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12NO5P/c1-10-4-2-3-7(6-10)5-8(9(11)12)16(13,14)15/h2-4,6,8H,5H2,1H3,(H2-,11,12,13,14,15)/p+1