1-[(5-ethyl-2-methyl-3-oxidanyl-pyridin-4-yl)methylamino]propan-2-ylphosphonic acid

Systemtic Name: 1-[(5-ethyl-2-methyl-3-oxidanyl-pyridin-4-yl)methylamino]propan-2-ylphosphonic acid Openeye Name: [2-[(5-ethyl-3-hydroxy-2-methyl-4-pyridyl)methylamino]-1-methyl-ethyl]phosphonic acid CAS Name: 1-[(5-ethyl-3-hydroxy-2-methyl-4-pyridinyl)methylamino]propan-2-ylphosphonic acid IUPAC Name: 1-[(5-ethyl-3-hydroxy-2-methylpyridin-4-yl)methylamino]propan-2-ylphosphonic acid Traditional Name: [2-[(5-ethyl-3-hydroxy-2-methyl-4-pyridyl)methylamino]-1-methyl-ethyl]phosphonic acid Formula: C12H21N2O4P MolecularWeight: 288.279901

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C(=C1CNCC(C)P(=O)(O)O)O)C

Isomeric SMILES

CCC1=CN=C(C(=C1CNCC(C)P(=O)(O)O)O)C

InChI

InChI=1S/C12H21N2O4P/c1-4-10-6-14-9(3)12(15)11(10)7-13-5-8(2)19(16,17)18/h6,8,13,15H,4-5,7H2,1-3H3,(H2,16,17,18)