[2-[3-(phenylcarbonyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[3-(phenylcarbonyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3-benzoylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(3-benzoyl-1-pyridin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3-benzoylpyridin-1-ium-1-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3-benzoylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Formula: C14H16NO7P2+ MolecularWeight: 372.226862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO7P2/c16-14(11-5-2-1-3-6-11)12-7-4-8-15(9-12)10-13(23(17,18)19)24(20,21)22/h1-9,13H,10H2,(H3-,17,18,19,20,21,22)/p+1