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

Systemtic Name: 3-[1-(1,1-dideuterio-2-methoxy-2-oxidanylidene-ethyl)pyridin-1-ium-2-yl]propanoic acid Openeye Name: 3-[1-(1,1-dideuterio-2-methoxy-2-oxo-ethyl)pyridin-1-ium-2-yl]propanoic acid CAS Name: 3-[1-(1,1-dideuterio-2-methoxy-2-oxoethyl)-2-pyridin-1-iumyl]propanoic acid IUPAC Name: 3-[1-(1,1-dideuterio-2-methoxy-2-oxoethyl)pyridin-1-ium-2-yl]propanoic acid Traditional Name: 3-[1-(1,1-dideuterio-2-keto-2-methoxy-ethyl)pyridin-1-ium-2-yl]propionic acid Formula: C11H14NO4+ MolecularWeight: 226.245484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-16-11(15)8-12-7-3-2-4-9(12)5-6-10(13)14/h2-4,7H,5-6,8H2,1H3/p+1/i8D2