[[(4,6-dimethylpyridin-1-ium-2-yl)amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[(4,6-dimethylpyridin-1-ium-2-yl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [[(4,6-dimethylpyridin-1-ium-2-yl)amino]-phosphono-methyl]phosphonic acid CAS Name: [[(4,6-dimethyl-2-pyridin-1-iumyl)amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[(4,6-dimethylpyridin-1-ium-2-yl)amino]-phosphonomethyl]phosphonic acid Traditional Name: [[(4,6-dimethylpyridin-1-ium-2-yl)amino]-phosphono-methyl]phosphonic acid Formula: C8H15N2O6P2+ MolecularWeight: 297.162022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1)NC(P(=O)(O)O)P(=O)(O)O)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1)NC(P(=O)(O)O)P(=O)(O)O)C

InChI

InChI=1S/C8H14N2O6P2/c1-5-3-6(2)9-7(4-5)10-8(17(11,12)13)18(14,15)16/h3-4,8H,1-2H3,(H,9,10)(H2,11,12,13)(H2,14,15,16)/p+1