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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)O

InChI

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