[2-(5-decoxy-1-methyl-pyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(5-decoxy-1-methyl-pyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(5-decoxy-1-methyl-pyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(5-decoxy-1-methyl-3-pyridin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(5-decoxy-1-methylpyridin-1-ium-3-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(5-decoxy-1-methyl-pyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid Formula: C18H34NO7P2+ MolecularWeight: 438.412582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C[N+](=CC(=C1)CC(P(=O)(O)O)P(=O)(O)O)C

Isomeric SMILES

CCCCCCCCCCOC1=C[N+](=CC(=C1)CC(P(=O)(O)O)P(=O)(O)O)C

InChI

InChI=1S/C18H33NO7P2/c1-3-4-5-6-7-8-9-10-11-26-17-12-16(14-19(2)15-17)13-18(27(20,21)22)28(23,24)25/h12,14-15,18H,3-11,13H2,1-2H3,(H3-,20,21,22,23,24,25)/p+1