[2-(1,1-dimethylpiperidin-1-ium-2-yl)-1-(methylamino)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(1,1-dimethylpiperidin-1-ium-2-yl)-1-(methylamino)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(1,1-dimethylpiperidin-1-ium-2-yl)-1-(methylamino)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(1,1-dimethyl-2-piperidin-1-iumyl)-1-(methylamino)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(1,1-dimethylpiperidin-1-ium-2-yl)-1-(methylamino)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(1,1-dimethylpiperidin-1-ium-2-yl)-1-(methylamino)-1-phosphono-ethyl]phosphonic acid Formula: C10H25N2O6P2+ MolecularWeight: 331.262822

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1CCCC[N+]1(C)C)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CNC(CC1CCCC[N+]1(C)C)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H24N2O6P2/c1-11-10(19(13,14)15,20(16,17)18)8-9-6-4-5-7-12(9,2)3/h9,11H,4-8H2,1-3H3,(H3-,13,14,15,16,17,18)/p+1