(4-bromanyl-2-ethoxycarbonyl-5-oxidanyl-1-benzofuran-6-yl)methyl-dimethyl-azanium chloride

Systemtic Name: (4-bromanyl-2-ethoxycarbonyl-5-oxidanyl-1-benzofuran-6-yl)methyl-dimethyl-azanium chloride Openeye Name: (4-bromo-2-ethoxycarbonyl-5-hydroxy-benzofuran-6-yl)methyl-dimethyl-ammonium chloride CAS Name: (4-bromo-2-ethoxycarbonyl-5-hydroxy-6-benzofuranyl)methyl-dimethylammonium chloride IUPAC Name: (4-bromo-2-ethoxycarbonyl-5-hydroxy-1-benzofuran-6-yl)methyl-dimethylazanium chloride Traditional Name: (4-bromo-2-carbethoxy-5-hydroxy-benzofuran-6-yl)methyl-dimethyl-ammonium chloride Formula: C14H17BrClNO4 MolecularWeight: 378.64608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(O1)C=C(C(=C2Br)O)C[NH+](C)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(O1)C=C(C(=C2Br)O)C[NH+](C)C.[Cl-]

InChI

InChI=1S/C14H16BrNO4.ClH/c1-4-19-14(18)11-6-9-10(20-11)5-8(7-16(2)3)13(17)12(9)15;/h5-6,17H,4,7H2,1-3H3;1H