ethyl 5-bromanyl-3-(isoquinolin-2-ium-2-ylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-(isoquinolin-2-ium-2-ylmethyl)-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-(isoquinolin-2-ium-2-ylmethyl)benzofuran-2-carboxylate CAS Name: 5-bromo-3-(2-isoquinolin-2-iumylmethyl)-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-(isoquinolin-2-ium-2-ylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-(isoquinolin-2-ium-2-ylmethyl)coumarilic acid ethyl ester Formula: C21H17BrNO3+ MolecularWeight: 411.26858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H17BrNO3/c1-2-25-21(24)20-18(17-11-16(22)7-8-19(17)26-20)13-23-10-9-14-5-3-4-6-15(14)12-23/h3-12H,2,13H2,1H3/q+1