[[(4-methylpyridin-1-ium-2-yl)amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[(4-methylpyridin-1-ium-2-yl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [[(4-methylpyridin-1-ium-2-yl)amino]-phosphono-methyl]phosphonic acid CAS Name: [[(4-methyl-2-pyridin-1-iumyl)amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[(4-methylpyridin-1-ium-2-yl)amino]-phosphonomethyl]phosphonic acid Traditional Name: [[(4-methylpyridin-1-ium-2-yl)amino]-phosphono-methyl]phosphonic acid Formula: C7H13N2O6P2+ MolecularWeight: 283.135442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12N2O6P2/c1-5-2-3-8-6(4-5)9-7(16(10,11)12)17(13,14)15/h2-4,7H,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)/p+1