2-bromanyl-3-(4-methylpyridin-1-ium-1-yl)propanoate

Systemtic Name: 2-bromanyl-3-(4-methylpyridin-1-ium-1-yl)propanoate Openeye Name: 2-bromo-3-(4-methylpyridin-1-ium-1-yl)propanoate CAS Name: 2-bromo-3-(4-methyl-1-pyridin-1-iumyl)propanoate IUPAC Name: 2-bromo-3-(4-methylpyridin-1-ium-1-yl)propanoate Traditional Name: 2-bromo-3-(4-methylpyridin-1-ium-1-yl)propionate Formula: C9H10BrNO2 MolecularWeight: 244.0852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC(C(=O)[O-])Br

Isomeric SMILES

CC1=CC=[N+](C=C1)CC(C(=O)[O-])Br

InChI

InChI=1S/C9H10BrNO2/c1-7-2-4-11(5-3-7)6-8(10)9(12)13/h2-5,8H,6H2,1H3