[2-(1-heptylpyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(1-heptylpyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(1-heptylpyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(1-heptyl-3-pyridin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(1-heptylpyridin-1-ium-3-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(1-heptylpyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid Formula: C14H26NO6P2+ MolecularWeight: 366.306862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25NO6P2/c1-2-3-4-5-6-9-15-10-7-8-13(12-15)11-14(22(16,17)18)23(19,20)21/h7-8,10,12,14H,2-6,9,11H2,1H3,(H3-,16,17,18,19,20,21)/p+1