ethyl 5-bromanyl-3-(2-morpholin-4-ium-4-ylethanoylamino)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-(2-morpholin-4-ium-4-ylethanoylamino)-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(2-morpholin-4-ium-4-ylacetyl)amino]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(2-morpholin-4-ium-4-ylacetyl)amino]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(2-morpholin-4-ium-4-ylacetyl)amino]coumarilic acid ethyl ester Formula: C17H20BrN2O5+ MolecularWeight: 412.2551

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C17H19BrN2O5/c1-2-24-17(22)16-15(12-9-11(18)3-4-13(12)25-16)19-14(21)10-20-5-7-23-8-6-20/h3-4,9H,2,5-8,10H2,1H3,(H,19,21)/p+1