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

Systemtic Name: ethyl 5-bromanyl-3-[(4-propylpyridin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(4-propylpyridin-1-ium-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(4-propyl-1-pyridin-1-iumyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(4-propylpyridin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(4-propylpyridin-1-ium-1-yl)methyl]coumarilic acid ethyl ester Formula: C20H21BrNO3+ MolecularWeight: 403.28964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC2=C(OC3=C2C=C(C=C3)Br)C(=O)OCC

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC2=C(OC3=C2C=C(C=C3)Br)C(=O)OCC

InChI

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