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

Systemtic Name: ethyl 5-bromanyl-3-[(5-ethyl-2-methyl-pyridin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(5-ethyl-2-methyl-pyridin-1-ium-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(5-ethyl-2-methyl-1-pyridin-1-iumyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(5-ethyl-2-methylpyridin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(5-ethyl-2-methyl-pyridin-1-ium-1-yl)methyl]coumarilic acid ethyl ester Formula: C20H21BrNO3+ MolecularWeight: 403.28964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=C(C=C1)C)CC2=C(OC3=C2C=C(C=C3)Br)C(=O)OCC

Isomeric SMILES

CCC1=C[N+](=C(C=C1)C)CC2=C(OC3=C2C=C(C=C3)Br)C(=O)OCC

InChI

InChI=1S/C20H21BrNO3/c1-4-14-7-6-13(3)22(11-14)12-17-16-10-15(21)8-9-18(16)25-19(17)20(23)24-5-2/h6-11H,4-5,12H2,1-3H3/q+1