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

Systemtic Name: ethyl 5-bromanyl-3-[(2-methylpyridin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(2-methylpyridin-1-ium-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(2-methyl-1-pyridin-1-iumyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(2-methylpyridin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(2-methylpyridin-1-ium-1-yl)methyl]coumarilic acid ethyl ester Formula: C18H17BrNO3+ MolecularWeight: 375.23648

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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=C3C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[N+]3=CC=CC=C3C

InChI

InChI=1S/C18H17BrNO3/c1-3-22-18(21)17-15(11-20-9-5-4-6-12(20)2)14-10-13(19)7-8-16(14)23-17/h4-10H,3,11H2,1-2H3/q+1