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

Systemtic Name: [4-(1,1-dimethylpiperidin-1-ium-2-yl)-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [4-(1,1-dimethylpiperidin-1-ium-2-yl)-1-hydroxy-1-phosphono-butyl]phosphonic acid CAS Name: [4-(1,1-dimethyl-2-piperidin-1-iumyl)-1-hydroxy-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-(1,1-dimethylpiperidin-1-ium-2-yl)-1-hydroxy-1-phosphonobutyl]phosphonic acid Traditional Name: [4-(1,1-dimethylpiperidin-1-ium-2-yl)-1-hydroxy-1-phosphono-butyl]phosphonic acid Formula: C11H26NO7P2+ MolecularWeight: 346.274162

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1CCCC(O)(P(=O)(O)O)P(=O)(O)O)C

Isomeric SMILES

C[N+]1(CCCCC1CCCC(O)(P(=O)(O)O)P(=O)(O)O)C

InChI

InChI=1S/C11H25NO7P2/c1-12(2)9-4-3-6-10(12)7-5-8-11(13,20(14,15)16)21(17,18)19/h10,13H,3-9H2,1-2H3,(H3-,14,15,16,17,18,19)/p+1