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

Systemtic Name: [2-(1-ethylpyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(1-ethylpyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(1-ethyl-3-pyridin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(1-ethylpyridin-1-ium-3-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(1-ethylpyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid Formula: C9H16NO6P2+ MolecularWeight: 296.173962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO6P2/c1-2-10-5-3-4-8(7-10)6-9(17(11,12)13)18(14,15)16/h3-5,7,9H,2,6H2,1H3,(H3-,11,12,13,14,15,16)/p+1