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

Systemtic Name: [1-azanyl-2-(1,1-dimethylpiperidin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-amino-2-(1,1-dimethylpiperidin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-amino-2-(1,1-dimethyl-3-piperidin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-amino-2-(1,1-dimethylpiperidin-1-ium-3-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-amino-2-(1,1-dimethylpiperidin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid Formula: C9H23N2O6P2+ MolecularWeight: 317.236242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H22N2O6P2/c1-11(2)5-3-4-8(7-11)6-9(10,18(12,13)14)19(15,16)17/h8H,3-7,10H2,1-2H3,(H3-,12,13,14,15,16,17)/p+1