N-(tert-butylcarbamoyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide chloride

Systemtic Name: N-(tert-butylcarbamoyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide chloride Openeye Name: N-(tert-butylcarbamoyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide chloride CAS Name: N-[(tert-butylamino)-oxomethyl]-2-(3-hydroxy-1-pyridin-1-iumyl)acetamide chloride IUPAC Name: N-(tert-butylcarbamoyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide chloride Traditional Name: N-(tert-butylcarbamoyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide chloride Formula: C12H18ClN3O3 MolecularWeight: 287.74262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3.ClH/c1-12(2,3)14-11(18)13-10(17)8-15-6-4-5-9(16)7-15;/h4-7H,8H2,1-3H3,(H2-,13,14,16,17,18);1H