ethyl 5-bromanyl-3-[(3-ethanoylpyridin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(3-ethanoylpyridin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(3-acetylpyridin-1-ium-1-yl)methyl]-5-bromo-benzofuran-2-carboxylate CAS Name: 3-[(3-acetyl-1-pyridin-1-iumyl)methyl]-5-bromo-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-acetylpyridin-1-ium-1-yl)methyl]-5-bromo-1-benzofuran-2-carboxylate Traditional Name: 3-[(3-acetylpyridin-1-ium-1-yl)methyl]-5-bromo-coumarilic acid ethyl ester Formula: C19H17BrNO4+ MolecularWeight: 403.24658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[N+]3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[N+]3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C19H17BrNO4/c1-3-24-19(23)18-16(15-9-14(20)6-7-17(15)25-18)11-21-8-4-5-13(10-21)12(2)22/h4-10H,3,11H2,1-2H3/q+1