tert-butyl 2-(4-aminocarbonylpyridin-1-ium-1-yl)ethanoate chloride

Systemtic Name: tert-butyl 2-(4-aminocarbonylpyridin-1-ium-1-yl)ethanoate chloride Openeye Name: tert-butyl 2-(4-carbamoylpyridin-1-ium-1-yl)acetate chloride CAS Name: 2-(4-carbamoyl-1-pyridin-1-iumyl)acetic acid tert-butyl ester chloride IUPAC Name: tert-butyl 2-(4-carbamoylpyridin-1-ium-1-yl)acetate chloride Traditional Name: 2-(4-carbamoylpyridin-1-ium-1-yl)acetic acid tert-butyl ester chloride Formula: C12H17ClN2O3 MolecularWeight: 272.72798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[N+]1=CC=C(C=C1)C(=O)N.[Cl-]

Isomeric SMILES

CC(C)(C)OC(=O)C[N+]1=CC=C(C=C1)C(=O)N.[Cl-]

InChI

InChI=1S/C12H16N2O3.ClH/c1-12(2,3)17-10(15)8-14-6-4-9(5-7-14)11(13)16;/h4-7H,8H2,1-3H3,(H-,13,16);1H