ethyl 3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-5-bromanyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-5-bromanyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-5-bromo-benzofuran-2-carboxylate CAS Name: 3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-5-bromo-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-5-bromo-1-benzofuran-2-carboxylate Traditional Name: 3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-5-bromo-coumarilic acid ethyl ester Formula: C18H22BrN2O3+ MolecularWeight: 394.28288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[N+]34CCN(CC3)CC4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[N+]34CCN(CC3)CC4

InChI

InChI=1S/C18H22BrN2O3/c1-2-23-18(22)17-15(14-11-13(19)3-4-16(14)24-17)12-21-8-5-20(6-9-21)7-10-21/h3-4,11H,2,5-10,12H2,1H3/q+1