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

Systemtic Name: [2-(3-butylpyridin-1-ium-1-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3-butylpyridin-1-ium-1-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(3-butyl-1-pyridin-1-iumyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3-butylpyridin-1-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3-butylpyridin-1-ium-1-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid Formula: C11H20NO7P2+ MolecularWeight: 340.226522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C[N+](=CC=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCC1=C[N+](=CC=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H19NO7P2/c1-2-3-5-10-6-4-7-12(8-10)9-11(13,20(14,15)16)21(17,18)19/h4,6-8,13H,2-3,5,9H2,1H3,(H3-,14,15,16,17,18,19)/p+1