[1-(1,1-dimethylpiperidin-1-ium-4-yl)-2-phosphono-propan-2-yl]phosphonic acid

Systemtic Name: [1-(1,1-dimethylpiperidin-1-ium-4-yl)-2-phosphono-propan-2-yl]phosphonic acid Openeye Name: [2-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methyl-1-phosphono-ethyl]phosphonic acid CAS Name: [1-(1,1-dimethyl-4-piperidin-1-iumyl)-2-phosphonopropan-2-yl]phosphonic acid IUPAC Name: [1-(1,1-dimethylpiperidin-1-ium-4-yl)-2-phosphonopropan-2-yl]phosphonic acid Traditional Name: [2-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methyl-1-phosphono-ethyl]phosphonic acid Formula: C10H24NO6P2+ MolecularWeight: 316.248182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CC[N+](CC1)(C)C)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(CC1CC[N+](CC1)(C)C)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H23NO6P2/c1-10(18(12,13)14,19(15,16)17)8-9-4-6-11(2,3)7-5-9/h9H,4-8H2,1-3H3,(H3-,12,13,14,15,16,17)/p+1