[3-(1,1-dimethylpiperidin-1-ium-2-yl)-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(1,1-dimethylpiperidin-1-ium-2-yl)-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(1,1-dimethylpiperidin-1-ium-2-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [3-(1,1-dimethyl-2-piperidin-1-iumyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(1,1-dimethylpiperidin-1-ium-2-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(1,1-dimethylpiperidin-1-ium-2-yl)-1-phosphono-propyl]phosphonic acid Formula: C10H24NO6P2+ MolecularWeight: 316.248182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1CCC(P(=O)(O)O)P(=O)(O)O)C

Isomeric SMILES

C[N+]1(CCCCC1CCC(P(=O)(O)O)P(=O)(O)O)C

InChI

InChI=1S/C10H23NO6P2/c1-11(2)8-4-3-5-9(11)6-7-10(18(12,13)14)19(15,16)17/h9-10H,3-8H2,1-2H3,(H3-,12,13,14,15,16,17)/p+1