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

Systemtic Name: 3-[1-(1,1-dideuterio-2-deuteriooxy-2-oxidanylidene-ethyl)pyridin-1-ium-2-yl]propanoate Openeye Name: 3-[1-(1,1-dideuterio-2-deuteriooxy-2-oxo-ethyl)pyridin-1-ium-2-yl]propanoate CAS Name: 3-[1-(1,1-dideuterio-2-deuteriooxy-2-oxoethyl)-2-pyridin-1-iumyl]propanoate IUPAC Name: 3-[1-(1,1-dideuterio-2-deuteriooxy-2-oxoethyl)pyridin-1-ium-2-yl]propanoate Traditional Name: 3-[1-(1,1-dideuterio-2-deuteriooxy-2-keto-ethyl)pyridin-1-ium-2-yl]propionate Formula: C10H11NO4 MolecularWeight: 212.217125

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)CCC(=O)[O-])CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO4/c12-9(13)5-4-8-3-1-2-6-11(8)7-10(14)15/h1-3,6H,4-5,7H2,(H-,12,13,14,15)/i7D2/hD