[2-(3,4-dimethylpyridin-1-ium-1-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(3,4-dimethylpyridin-1-ium-1-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(3,4-dimethyl-1-pyridin-1-iumyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid Formula: C9H16NO7P2+ MolecularWeight: 312.173362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO7P2/c1-7-3-4-10(5-8(7)2)6-9(11,18(12,13)14)19(15,16)17/h3-5,11H,6H2,1-2H3,(H3-,12,13,14,15,16,17)/p+1