3-(1-ethyl-1-methyl-piperidin-1-ium-2-yl)-2-oxidanyl-2-phosphono-propanoic acid

Systemtic Name: 3-(1-ethyl-1-methyl-piperidin-1-ium-2-yl)-2-oxidanyl-2-phosphono-propanoic acid Openeye Name: 3-(1-ethyl-1-methyl-piperidin-1-ium-2-yl)-2-hydroxy-2-phosphono-propanoic acid CAS Name: 3-(1-ethyl-1-methyl-2-piperidin-1-iumyl)-2-hydroxy-2-phosphonopropanoic acid IUPAC Name: 3-(1-ethyl-1-methylpiperidin-1-ium-2-yl)-2-hydroxy-2-phosphonopropanoic acid Traditional Name: 3-(1-ethyl-1-methyl-piperidin-1-ium-2-yl)-2-hydroxy-2-phosphono-propionic acid Formula: C11H23NO6P+ MolecularWeight: 296.277181

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1CC(C(=O)O)(O)P(=O)(O)O)C

Isomeric SMILES

CC[N+]1(CCCCC1CC(C(=O)O)(O)P(=O)(O)O)C

InChI

InChI=1S/C11H22NO6P/c1-3-12(2)7-5-4-6-9(12)8-11(15,10(13)14)19(16,17)18/h9,15H,3-8H2,1-2H3,(H2-,13,14,16,17,18)/p+1