2-[(2-bromanyl-6-chloranyl-1,1-dimethyl-2H-pyridin-1-ium-5-yl)oxy]propanoic acid

Systemtic Name: 2-[(2-bromanyl-6-chloranyl-1,1-dimethyl-2H-pyridin-1-ium-5-yl)oxy]propanoic acid Openeye Name: 2-[(2-bromo-6-chloro-1,1-dimethyl-2H-pyridin-1-ium-5-yl)oxy]propanoic acid CAS Name: 2-[(2-bromo-6-chloro-1,1-dimethyl-2H-pyridin-1-ium-5-yl)oxy]propanoic acid IUPAC Name: 2-[(2-bromo-6-chloro-1,1-dimethyl-2H-pyridin-1-ium-5-yl)oxy]propanoic acid Traditional Name: 2-[(2-bromo-6-chloro-1,1-dimethyl-2H-pyridin-1-ium-5-yl)oxy]propionic acid Formula: C10H14BrClNO3+ MolecularWeight: 311.58006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C([N+](C(C=C1)Br)(C)C)Cl

Isomeric SMILES

CC(C(=O)O)OC1=C([N+](C(C=C1)Br)(C)C)Cl

InChI

InChI=1S/C10H13BrClNO3/c1-6(10(14)15)16-7-4-5-8(11)13(2,3)9(7)12/h4-6,8H,1-3H3/p+1