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

Systemtic Name: ethyl 5-bromanyl-3-(2-morpholin-4-ium-4-ylethanoylamino)-1-benzofuran-2-carboxylate chloride Openeye Name: ethyl 5-bromo-3-[(2-morpholin-4-ium-4-ylacetyl)amino]benzofuran-2-carboxylate chloride CAS Name: 5-bromo-3-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl ester chloride IUPAC Name: ethyl 5-bromo-3-[(2-morpholin-4-ium-4-ylacetyl)amino]-1-benzofuran-2-carboxylate chloride Traditional Name: 5-bromo-3-[(2-morpholin-4-ium-4-ylacetyl)amino]coumarilic acid ethyl ester chloride Formula: C17H20BrClN2O5 MolecularWeight: 447.7081

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O5.ClH/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);1H