[2-(1-heptylpyridin-1-ium-4-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(1-heptylpyridin-1-ium-4-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(1-heptylpyridin-1-ium-4-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(1-heptyl-4-pyridin-1-iumyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(1-heptylpyridin-1-ium-4-yl)-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(1-heptylpyridin-1-ium-4-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid Formula: C14H26NO7P2+ MolecularWeight: 382.306262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25NO7P2/c1-2-3-4-5-6-9-15-10-7-13(8-11-15)12-14(16,23(17,18)19)24(20,21)22/h7-8,10-11,16H,2-6,9,12H2,1H3,(H3-,17,18,19,20,21,22)/p+1