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

Systemtic Name: [2-[3-(phenylmethyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3-benzylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[3-(phenylmethyl)-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3-benzylpyridin-1-ium-1-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3-benzylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Formula: C14H18NO6P2+ MolecularWeight: 358.243342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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