2-bromanyl-3-pyridin-1-ium-1-yl-propanoic acid

Systemtic Name: 2-bromanyl-3-pyridin-1-ium-1-yl-propanoic acid Openeye Name: 2-bromo-3-pyridin-1-ium-1-yl-propanoic acid CAS Name: 2-bromo-3-(1-pyridin-1-iumyl)propanoic acid IUPAC Name: 2-bromo-3-pyridin-1-ium-1-ylpropanoic acid Traditional Name: 2-bromo-3-pyridin-1-ium-1-yl-propionic acid Formula: C8H9BrNO2+ MolecularWeight: 231.06656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8BrNO2/c9-7(8(11)12)6-10-4-2-1-3-5-10/h1-5,7H,6H2/p+1