2,2-dideuterio-2-[2-[4-oxidanylidene-4-(trideuteriomethoxy)butan-2-yl]pyridin-1-ium-1-yl]ethanoate

Systemtic Name: 2,2-dideuterio-2-[2-[4-oxidanylidene-4-(trideuteriomethoxy)butan-2-yl]pyridin-1-ium-1-yl]ethanoate Openeye Name: 2,2-dideuterio-2-[2-[1-methyl-3-oxo-3-(trideuteriomethoxy)propyl]pyridin-1-ium-1-yl]acetate CAS Name: 2,2-dideuterio-2-[2-[4-oxo-4-(trideuteriomethoxy)butan-2-yl]-1-pyridin-1-iumyl]acetate IUPAC Name: 2,2-dideuterio-2-[2-[4-oxo-4-(trideuteriomethoxy)butan-2-yl]pyridin-1-ium-1-yl]acetate Traditional Name: 2,2-dideuterio-2-[2-[3-keto-1-methyl-3-(trideuteriomethoxy)propyl]pyridin-1-ium-1-yl]acetate Formula: C12H15NO4 MolecularWeight: 242.282609

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C1=CC=CC=[N+]1CC(=O)[O-]

Isomeric SMILES

[2H]C([2H])([2H])OC(=O)CC(C)C1=CC=CC=[N+]1C([2H])([2H])C(=O)[O-]

InChI

InChI=1S/C12H15NO4/c1-9(7-12(16)17-2)10-5-3-4-6-13(10)8-11(14)15/h3-6,9H,7-8H2,1-2H3/i2D3,8D2