[1-methylphosphanyl-2-(1-methylpyridin-1-ium-3-yl)ethyl]phosphonic acid

Systemtic Name: [1-methylphosphanyl-2-(1-methylpyridin-1-ium-3-yl)ethyl]phosphonic acid Openeye Name: [1-methylphosphanyl-2-(1-methylpyridin-1-ium-3-yl)ethyl]phosphonic acid CAS Name: [1-methylphosphino-2-(1-methyl-3-pyridin-1-iumyl)ethyl]phosphonic acid IUPAC Name: [1-methylphosphanyl-2-(1-methylpyridin-1-ium-3-yl)ethyl]phosphonic acid Traditional Name: [1-methylphosphino-2-(1-methylpyridin-1-ium-3-yl)ethyl]phosphonic acid Formula: C9H16NO3P2+ MolecularWeight: 248.175762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO3P2/c1-10-5-3-4-8(7-10)6-9(14-2)15(11,12)13/h3-5,7,9,14H,6H2,1-2H3,(H-,11,12,13)/p+1