methyl 2-(3-ethanoylpyridin-1-ium-1-yl)ethanoate bromide

Systemtic Name: methyl 2-(3-ethanoylpyridin-1-ium-1-yl)ethanoate bromide Openeye Name: methyl 2-(3-acetylpyridin-1-ium-1-yl)acetate bromide CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)acetic acid methyl ester bromide IUPAC Name: methyl 2-(3-acetylpyridin-1-ium-1-yl)acetate bromide Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)acetic acid methyl ester bromide Formula: C10H12BrNO3 MolecularWeight: 274.11118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12NO3.BrH/c1-8(12)9-4-3-5-11(6-9)7-10(13)14-2;/h3-6H,7H2,1-2H3;1H/q+1;/p-1