3-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]pyridin-1-ium-2-yl]propanoic acid

Systemtic Name: 3-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]pyridin-1-ium-2-yl]propanoic acid Openeye Name: 3-[1-(2-tert-butoxy-2-oxo-ethyl)pyridin-1-ium-2-yl]propanoic acid CAS Name: 3-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-pyridin-1-iumyl]propanoic acid IUPAC Name: 3-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyridin-1-ium-2-yl]propanoic acid Traditional Name: 3-[1-(2-tert-butoxy-2-keto-ethyl)pyridin-1-ium-2-yl]propionic acid Formula: C14H20NO4+ MolecularWeight: 266.3129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)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/p+1