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

Systemtic Name: 3-[1-[1,1-dideuterio-2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]pyridin-1-ium-2-yl]propanoate Openeye Name: 3-[1-(2-tert-butoxy-1,1-dideuterio-2-oxo-ethyl)pyridin-1-ium-2-yl]propanoate CAS Name: 3-[1-[1,1-dideuterio-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-pyridin-1-iumyl]propanoate IUPAC Name: 3-[1-[1,1-dideuterio-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridin-1-ium-2-yl]propanoate Traditional Name: 3-[1-(2-tert-butoxy-1,1-dideuterio-2-keto-ethyl)pyridin-1-ium-2-yl]propionate Formula: C14H19NO4 MolecularWeight: 267.317284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)10-15-9-5-4-6-11(15)7-8-12(16)17/h4-6,9H,7-8,10H2,1-3H3/i10D2