ethyl 5-bromanyl-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]coumarilic acid ethyl ester Formula: C23H25BrNO5+ MolecularWeight: 475.3523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH+]3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH+]3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C23H24BrNO5/c1-4-29-23(26)22-18(17-11-16(24)5-6-19(17)30-22)13-25-8-7-14-9-20(27-2)21(28-3)10-15(14)12-25/h5-6,9-11H,4,7-8,12-13H2,1-3H3/p+1