3-[1-(1,1-dideuterio-2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-2-yl]propanoic acid

Systemtic Name: 3-[1-(1,1-dideuterio-2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-2-yl]propanoic acid Openeye Name: 3-[1-(1,1-dideuterio-2-ethoxy-2-oxo-ethyl)pyridin-1-ium-2-yl]propanoic acid CAS Name: 3-[1-(1,1-dideuterio-2-ethoxy-2-oxoethyl)-2-pyridin-1-iumyl]propanoic acid IUPAC Name: 3-[1-(1,1-dideuterio-2-ethoxy-2-oxoethyl)pyridin-1-ium-2-yl]propanoic acid Traditional Name: 3-[1-(1,1-dideuterio-2-ethoxy-2-keto-ethyl)pyridin-1-ium-2-yl]propionic acid Formula: C12H16NO4+ MolecularWeight: 240.272064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=CC=C1CCC(=O)O

Isomeric SMILES

[2H]C([2H])(C(=O)OCC)[N+]1=CC=CC=C1CCC(=O)O

InChI

InChI=1S/C12H15NO4/c1-2-17-12(16)9-13-8-4-3-5-10(13)6-7-11(14)15/h3-5,8H,2,6-7,9H2,1H3/p+1/i9D2