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

Systemtic Name: ethyl 4-methoxy-2-methyl-6-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-4-methoxy-2-methyl-6-(morpholin-4-ium-4-ylmethyl)benzofuran-3-carboxylate CAS Name: 5-hydroxy-4-methoxy-2-methyl-6-(4-morpholin-4-iumylmethyl)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-4-methoxy-2-methyl-6-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-4-methoxy-2-methyl-6-(morpholin-4-ium-4-ylmethyl)benzofuran-3-carboxylic acid ethyl ester Formula: C18H24NO6+ MolecularWeight: 350.38626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)C[NH+]3CCOCC3)O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)C[NH+]3CCOCC3)O)OC)C

InChI

InChI=1S/C18H23NO6/c1-4-24-18(21)14-11(2)25-13-9-12(10-19-5-7-23-8-6-19)16(20)17(22-3)15(13)14/h9,20H,4-8,10H2,1-3H3/p+1