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

Systemtic Name: ethyl 5-bromanyl-3-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[4-(dimethylamino)-1-pyridin-1-iumyl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]coumarilic acid ethyl ester Formula: C19H20BrN2O3+ MolecularWeight: 404.2777

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN2O3/c1-4-24-19(23)18-16(15-11-13(20)5-6-17(15)25-18)12-22-9-7-14(8-10-22)21(2)3/h5-11H,4,12H2,1-3H3/q+1