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

Systemtic Name: [1-oxidanyl-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(4-benzylpyridin-1-ium-1-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(4-benzylpyridin-1-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(4-benzylpyridin-1-ium-1-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid Formula: C14H18NO7P2+ MolecularWeight: 374.242742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H17NO7P2/c16-14(23(17,18)19,24(20,21)22)11-15-8-6-13(7-9-15)10-12-4-2-1-3-5-12/h1-9,16H,10-11H2,(H3-,17,18,19,20,21,22)/p+1