[2-(3-fluoranyl-5-phenyl-pyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(3-fluoranyl-5-phenyl-pyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3-fluoro-5-phenyl-pyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(3-fluoro-5-phenyl-1-pyridin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3-fluoro-5-phenylpyridin-1-ium-1-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3-fluoro-5-phenyl-pyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Formula: C13H15FNO6P2+ MolecularWeight: 362.207225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C[N+](=C2)CC(P(=O)(O)O)P(=O)(O)O)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C[N+](=C2)CC(P(=O)(O)O)P(=O)(O)O)F

InChI

InChI=1S/C13H14FNO6P2/c14-12-6-11(10-4-2-1-3-5-10)7-15(8-12)9-13(22(16,17)18)23(19,20)21/h1-8,13H,9H2,(H3-,16,17,18,19,20,21)/p+1