ethyl 5-bromanyl-3-[(4-ethylpyridin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(4-ethylpyridin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(4-ethylpyridin-1-ium-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(4-ethyl-1-pyridin-1-iumyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(4-ethylpyridin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(4-ethylpyridin-1-ium-1-yl)methyl]coumarilic acid ethyl ester Formula: C19H19BrNO3+ MolecularWeight: 389.26306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrNO3/c1-3-13-7-9-21(10-8-13)12-16-15-11-14(20)5-6-17(15)24-18(16)19(22)23-4-2/h5-11H,3-4,12H2,1-2H3/q+1