ethyl 3-(2-azanylpyridin-1-ium-1-yl)-2-oxidanylidene-propanoate bromide

Systemtic Name: ethyl 3-(2-azanylpyridin-1-ium-1-yl)-2-oxidanylidene-propanoate bromide Openeye Name: ethyl 3-(2-aminopyridin-1-ium-1-yl)-2-oxo-propanoate bromide CAS Name: 3-(2-amino-1-pyridin-1-iumyl)-2-oxopropanoic acid ethyl ester bromide IUPAC Name: ethyl 3-(2-aminopyridin-1-ium-1-yl)-2-oxopropanoate bromide Traditional Name: 3-(2-aminopyridin-1-ium-1-yl)-2-keto-propionic acid ethyl ester bromide Formula: C10H13BrN2O3 MolecularWeight: 289.12582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C[N+]1=CC=CC=C1N.[Br-]

Isomeric SMILES

CCOC(=O)C(=O)C[N+]1=CC=CC=C1N.[Br-]

InChI

InChI=1S/C10H12N2O3.BrH/c1-2-15-10(14)8(13)7-12-6-4-3-5-9(12)11;/h3-6,11H,2,7H2,1H3;1H