[2-[3-(1H-imidazol-5-yl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]-oxidanyl-phosphinate

Systemtic Name: [2-[3-(1H-imidazol-5-yl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: hydroxy-[2-[3-(1H-imidazol-5-yl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphinate CAS Name: hydroxy-[2-[3-(1H-imidazol-5-yl)-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphinate IUPAC Name: hydroxy-[2-[3-(1H-imidazol-5-yl)pyridin-1-ium-1-yl]-1-phosphonoethyl]phosphinate Traditional Name: hydroxy-[2-[3-(1H-imidazol-5-yl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphinate Formula: C10H13N3O6P2 MolecularWeight: 333.174242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(P(=O)(O)O)P(=O)(O)[O-])C2=CN=CN2

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(P(=O)(O)O)P(=O)(O)[O-])C2=CN=CN2

InChI

InChI=1S/C10H13N3O6P2/c14-20(15,16)10(21(17,18)19)6-13-3-1-2-8(5-13)9-4-11-7-12-9/h1-5,7,10H,6H2,(H4-,11,12,14,15,16,17,18,19)