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

Systemtic Name: oxidanyl-[2-[4-(phenylmethyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphinate Openeye Name: [2-(4-benzylpyridin-1-ium-1-yl)-1-phosphono-ethyl]-hydroxy-phosphinate CAS Name: hydroxy-[2-[4-(phenylmethyl)-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphinate IUPAC Name: [2-(4-benzylpyridin-1-ium-1-yl)-1-phosphonoethyl]-hydroxyphosphinate Traditional Name: [2-(4-benzylpyridin-1-ium-1-yl)-1-phosphono-ethyl]-hydroxy-phosphinate Formula: C14H17NO6P2 MolecularWeight: 357.235402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO6P2/c16-22(17,18)14(23(19,20)21)11-15-8-6-13(7-9-15)10-12-4-2-1-3-5-12/h1-9,14H,10-11H2,(H3-,16,17,18,19,20,21)