2,2-dideuterio-2-[2-[3-oxidanylidene-3-(trideuteriomethoxy)propyl]pyridin-1-ium-1-yl]ethanoate

Systemtic Name: 2,2-dideuterio-2-[2-[3-oxidanylidene-3-(trideuteriomethoxy)propyl]pyridin-1-ium-1-yl]ethanoate Openeye Name: 2,2-dideuterio-2-[2-[3-oxo-3-(trideuteriomethoxy)propyl]pyridin-1-ium-1-yl]acetate CAS Name: 2,2-dideuterio-2-[2-[3-oxo-3-(trideuteriomethoxy)propyl]-1-pyridin-1-iumyl]acetate IUPAC Name: 2,2-dideuterio-2-[2-[3-oxo-3-(trideuteriomethoxy)propyl]pyridin-1-ium-1-yl]acetate Traditional Name: 2,2-dideuterio-2-[2-[3-keto-3-(trideuteriomethoxy)propyl]pyridin-1-ium-1-yl]acetate Formula: C11H13NO4 MolecularWeight: 228.256029

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=CC=[N+]1CC(=O)[O-]

Isomeric SMILES

[2H]C([2H])([2H])OC(=O)CCC1=CC=CC=[N+]1C([2H])([2H])C(=O)[O-]

InChI

InChI=1S/C11H13NO4/c1-16-11(15)6-5-9-4-2-3-7-12(9)8-10(13)14/h2-4,7H,5-6,8H2,1H3/i1D3,8D2