ethyl 4-(3-aminocarbonylpyridin-1-ium-1-yl)butanoate bromide

Systemtic Name: ethyl 4-(3-aminocarbonylpyridin-1-ium-1-yl)butanoate bromide Openeye Name: ethyl 4-(3-carbamoylpyridin-1-ium-1-yl)butanoate bromide CAS Name: 4-(3-carbamoyl-1-pyridin-1-iumyl)butanoic acid ethyl ester bromide IUPAC Name: ethyl 4-(3-carbamoylpyridin-1-ium-1-yl)butanoate bromide Traditional Name: 4-(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:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3.BrH/c1-2-17-11(15)6-4-8-14-7-3-5-10(9-14)12(13)16;/h3,5,7,9H,2,4,6,8H2,1H3,(H-,13,16);1H