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

Systemtic Name: ethyl 6-bromanyl-2-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)benzofuran-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-(4-morpholin-4-iumylmethyl)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)benzofuran-3-carboxylic acid ethyl ester Formula: C16H19BrNO5+ MolecularWeight: 385.22976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrNO5/c1-2-22-16(20)15-10-7-12(19)11(17)8-13(10)23-14(15)9-18-3-5-21-6-4-18/h7-8,19H,2-6,9H2,1H3/p+1