[2-(3-phenylpyridin-1-ium-1-yl)-1-phosphono-propyl]phosphonic acid

Systemtic Name: [2-(3-phenylpyridin-1-ium-1-yl)-1-phosphono-propyl]phosphonic acid Openeye Name: [2-(3-phenylpyridin-1-ium-1-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [2-(3-phenyl-1-pyridin-1-iumyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [2-(3-phenylpyridin-1-ium-1-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [2-(3-phenylpyridin-1-ium-1-yl)-1-phosphono-propyl]phosphonic acid Formula: C14H18NO6P2+ MolecularWeight: 358.243342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(P(=O)(O)O)P(=O)(O)O)[N+]1=CC=CC(=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C(P(=O)(O)O)P(=O)(O)O)[N+]1=CC=CC(=C1)C2=CC=CC=C2

InChI

InChI=1S/C14H17NO6P2/c1-11(14(22(16,17)18)23(19,20)21)15-9-5-8-13(10-15)12-6-3-2-4-7-12/h2-11,14H,1H3,(H3-,16,17,18,19,20,21)/p+1