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

Systemtic Name: 3-[1-(1,1-dideuterio-2-methoxy-2-oxidanylidene-ethyl)pyridin-1-ium-2-yl]propanoate Openeye Name: 3-[1-(1,1-dideuterio-2-methoxy-2-oxo-ethyl)pyridin-1-ium-2-yl]propanoate CAS Name: 3-[1-(1,1-dideuterio-2-methoxy-2-oxoethyl)-2-pyridin-1-iumyl]propanoate IUPAC Name: 3-[1-(1,1-dideuterio-2-methoxy-2-oxoethyl)pyridin-1-ium-2-yl]propanoate Traditional Name: 3-[1-(1,1-dideuterio-2-keto-2-methoxy-ethyl)pyridin-1-ium-2-yl]propionate Formula: C11H13NO4 MolecularWeight: 225.237544

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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/i8D2