ethyl 6-bromanyl-2-methyl-4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-methyl-4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-2-methyl-4-(morpholin-4-ium-4-ylmethyl)benzofuran-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-methyl-4-(4-morpholin-4-iumylmethyl)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-2-methyl-4-(morpholin-4-ium-4-ylmethyl)benzofuran-3-carboxylic acid ethyl ester Formula: C17H21BrNO5+ MolecularWeight: 399.25634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)C[NH+]3CCOCC3)O)Br)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)C[NH+]3CCOCC3)O)Br)C

InChI

InChI=1S/C17H20BrNO5/c1-3-23-17(21)14-10(2)24-13-8-12(18)16(20)11(15(13)14)9-19-4-6-22-7-5-19/h8,20H,3-7,9H2,1-2H3/p+1