[1-oxidanyl-1-phosphono-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethyl]phosphonic acid

Systemtic Name: [1-oxidanyl-1-phosphono-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethyl]phosphonic acid Openeye Name: [1-hydroxy-1-phosphono-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]ethyl]phosphonic acid CAS Name: [1-hydroxy-1-phosphono-2-(4-pyridin-4-yl-1-pyridin-1-iumyl)ethyl]phosphonic acid IUPAC Name: [1-hydroxy-1-phosphono-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethyl]phosphonic acid Traditional Name: [1-hydroxy-1-phosphono-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]ethyl]phosphonic acid Formula: C12H15N2O7P2+ MolecularWeight: 361.204222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=CC=[N+](C=C2)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CN=CC=C1C2=CC=[N+](C=C2)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H14N2O7P2/c15-12(22(16,17)18,23(19,20)21)9-14-7-3-11(4-8-14)10-1-5-13-6-2-10/h1-8,15H,9H2,(H3-,16,17,18,19,20,21)/p+1