[2-(4-phenylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(4-phenylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(4-phenylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(4-phenyl-1-pyridin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(4-phenylpyridin-1-ium-1-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(4-phenylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Formula: C13H16NO6P2+ MolecularWeight: 344.216762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6P2/c15-21(16,17)13(22(18,19)20)10-14-8-6-12(7-9-14)11-4-2-1-3-5-11/h1-9,13H,10H2,(H3-,15,16,17,18,19,20)/p+1