[3-(1-methylpyridin-1-ium-3-yl)-1-oxidanyl-1-phosphono-propyl]phosphonic acid hydroxide

Systemtic Name: [3-(1-methylpyridin-1-ium-3-yl)-1-oxidanyl-1-phosphono-propyl]phosphonic acid hydroxide Openeye Name: [1-hydroxy-3-(1-methylpyridin-1-ium-3-yl)-1-phosphono-propyl]phosphonic acid hydroxide CAS Name: [1-hydroxy-3-(1-methyl-3-pyridin-1-iumyl)-1-phosphonopropyl]phosphonic acid hydroxide IUPAC Name: [1-hydroxy-3-(1-methylpyridin-1-ium-3-yl)-1-phosphonopropyl]phosphonic acid hydroxide Traditional Name: [1-hydroxy-3-(1-methylpyridin-1-ium-3-yl)-1-phosphono-propyl]phosphonic acid hydroxide Formula: C9H17NO8P2 MolecularWeight: 329.180702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O.[OH-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O.[OH-]

InChI

InChI=1S/C9H15NO7P2.H2O/c1-10-6-2-3-8(7-10)4-5-9(11,18(12,13)14)19(15,16)17;/h2-3,6-7,11H,4-5H2,1H3,(H3-,12,13,14,15,16,17);1H2