[2-(1-methylpyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(1-methylpyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(1-methylpyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(1-methyl-3-pyridin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(1-methylpyridin-1-ium-3-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(1-methylpyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid Formula: C8H14NO6P2+ MolecularWeight: 282.147382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13NO6P2/c1-9-4-2-3-7(6-9)5-8(16(10,11)12)17(13,14)15/h2-4,6,8H,5H2,1H3,(H3-,10,11,12,13,14,15)/p+1