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

Systemtic Name: [2-[3-(1H-imidazol-5-yl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[3-(1H-imidazol-5-yl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[3-(1H-imidazol-5-yl)-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[3-(1H-imidazol-5-yl)pyridin-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[3-(1H-imidazol-5-yl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Formula: C10H14N3O6P2+ MolecularWeight: 334.182182

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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)/p+1