ethyl 2-(3-aminocarbonylpyridin-1-ium-1-yl)butanoate bromide

Systemtic Name: ethyl 2-(3-aminocarbonylpyridin-1-ium-1-yl)butanoate bromide Openeye Name: ethyl 2-(3-carbamoylpyridin-1-ium-1-yl)butanoate bromide CAS Name: 2-(3-carbamoyl-1-pyridin-1-iumyl)butanoic acid ethyl ester bromide IUPAC Name: ethyl 2-(3-carbamoylpyridin-1-ium-1-yl)butanoate bromide Traditional Name: 2-(3-carbamoylpyridin-1-ium-1-yl)butyric acid ethyl ester bromide Formula: C12H17BrN2O3 MolecularWeight: 317.17898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)[N+]1=CC=CC(=C1)C(=O)N.[Br-]

Isomeric SMILES

CCC(C(=O)OCC)[N+]1=CC=CC(=C1)C(=O)N.[Br-]

InChI

InChI=1S/C12H16N2O3.BrH/c1-3-10(12(16)17-4-2)14-7-5-6-9(8-14)11(13)15;/h5-8,10H,3-4H2,1-2H3,(H-,13,15);1H