2-bromanyl-3-(3-methylpyridin-1-ium-1-yl)propanoic acid bromide

Systemtic Name: 2-bromanyl-3-(3-methylpyridin-1-ium-1-yl)propanoic acid bromide Openeye Name: 2-bromo-3-(3-methylpyridin-1-ium-1-yl)propanoic acid bromide CAS Name: 2-bromo-3-(3-methyl-1-pyridin-1-iumyl)propanoic acid bromide IUPAC Name: 2-bromo-3-(3-methylpyridin-1-ium-1-yl)propanoic acid bromide Traditional Name: 2-bromo-3-(3-methylpyridin-1-ium-1-yl)propionic acid bromide Formula: C9H11Br2NO2 MolecularWeight: 324.99714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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