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

Systemtic Name: [1-azanyl-2-(1,1-dimethylpiperidin-1-ium-2-yl)-1-phosphono-ethyl]phosphonic acid chloride Openeye Name: [1-amino-2-(1,1-dimethylpiperidin-1-ium-2-yl)-1-phosphono-ethyl]phosphonic acid chloride CAS Name: [1-amino-2-(1,1-dimethyl-2-piperidin-1-iumyl)-1-phosphonoethyl]phosphonic acid chloride IUPAC Name: [1-amino-2-(1,1-dimethylpiperidin-1-ium-2-yl)-1-phosphonoethyl]phosphonic acid chloride Traditional Name: [1-amino-2-(1,1-dimethylpiperidin-1-ium-2-yl)-1-phosphono-ethyl]phosphonic acid chloride Formula: C9H23ClN2O6P2 MolecularWeight: 352.689242

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1CC(N)(P(=O)(O)O)P(=O)(O)O)C.[Cl-]

Isomeric SMILES

C[N+]1(CCCCC1CC(N)(P(=O)(O)O)P(=O)(O)O)C.[Cl-]

InChI

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