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

Systemtic Name: [2-(1,1-dimethylpiperidin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(1,1-dimethylpiperidin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(1,1-dimethyl-3-piperidin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(1,1-dimethylpiperidin-1-ium-3-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(1,1-dimethylpiperidin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid Formula: C9H22NO6P2+ MolecularWeight: 302.221602

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)CC(P(=O)(O)O)P(=O)(O)O)C

Isomeric SMILES

C[N+]1(CCCC(C1)CC(P(=O)(O)O)P(=O)(O)O)C

InChI

InChI=1S/C9H21NO6P2/c1-10(2)5-3-4-8(7-10)6-9(17(11,12)13)18(14,15)16/h8-9H,3-7H2,1-2H3,(H3-,11,12,13,14,15,16)/p+1