3-[[2,4,6-tris(bromanyl)-1,1-dimethyl-2H-pyridin-1-ium-5-yl]oxy]propanoic acid

Systemtic Name: 3-[[2,4,6-tris(bromanyl)-1,1-dimethyl-2H-pyridin-1-ium-5-yl]oxy]propanoic acid Openeye Name: 3-[(2,4,6-tribromo-1,1-dimethyl-2H-pyridin-1-ium-5-yl)oxy]propanoic acid CAS Name: 3-[(2,4,6-tribromo-1,1-dimethyl-2H-pyridin-1-ium-5-yl)oxy]propanoic acid IUPAC Name: 3-[(2,4,6-tribromo-1,1-dimethyl-2H-pyridin-1-ium-5-yl)oxy]propanoic acid Traditional Name: 3-[(2,4,6-tribromo-1,1-dimethyl-2H-pyridin-1-ium-5-yl)oxy]propionic acid Formula: C10H13Br3NO3+ MolecularWeight: 434.92712

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(C=C(C(=C1Br)OCCC(=O)O)Br)Br)C

Isomeric SMILES

C[N+]1(C(C=C(C(=C1Br)OCCC(=O)O)Br)Br)C

InChI

InChI=1S/C10H12Br3NO3/c1-14(2)7(12)5-6(11)9(10(14)13)17-4-3-8(15)16/h5,7H,3-4H2,1-2H3/p+1