ethyl 2-bromanyl-3-(3-methylpyridin-1-ium-1-yl)propanoate bromide

Systemtic Name: ethyl 2-bromanyl-3-(3-methylpyridin-1-ium-1-yl)propanoate bromide Openeye Name: ethyl 2-bromo-3-(3-methylpyridin-1-ium-1-yl)propanoate bromide CAS Name: 2-bromo-3-(3-methyl-1-pyridin-1-iumyl)propanoic acid ethyl ester bromide IUPAC Name: ethyl 2-bromo-3-(3-methylpyridin-1-ium-1-yl)propanoate bromide Traditional Name: 2-bromo-3-(3-methylpyridin-1-ium-1-yl)propionic acid ethyl ester bromide Formula: C11H15Br2NO2 MolecularWeight: 353.0503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15BrNO2.BrH/c1-3-15-11(14)10(12)8-13-6-4-5-9(2)7-13;/h4-7,10H,3,8H2,1-2H3;1H/q+1;/p-1