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

Systemtic Name: ethyl 4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-4-(morpholin-4-ium-4-ylmethyl)-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-hydroxy-4-(4-morpholin-4-iumylmethyl)-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-4-(morpholin-4-ium-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-4-(morpholin-4-ium-4-ylmethyl)-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C22H24NO5+ MolecularWeight: 382.42966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)C[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)C[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23NO5/c1-2-27-22(25)20-19-16(14-23-10-12-26-13-11-23)17(24)8-9-18(19)28-21(20)15-6-4-3-5-7-15/h3-9,24H,2,10-14H2,1H3/p+1