ethyl 5-methoxy-2-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxylate chloride

Systemtic Name: ethyl 5-methoxy-2-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxylate chloride Openeye Name: ethyl 5-methoxy-2-(morpholin-4-ium-4-ylmethyl)benzofuran-3-carboxylate chloride CAS Name: 5-methoxy-2-(4-morpholin-4-iumylmethyl)-3-benzofurancarboxylic acid ethyl ester chloride IUPAC Name: ethyl 5-methoxy-2-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxylate chloride Traditional Name: 5-methoxy-2-(morpholin-4-ium-4-ylmethyl)benzofuran-3-carboxylic acid ethyl ester chloride Formula: C17H22ClNO5 MolecularWeight: 355.81328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5.ClH/c1-3-22-17(19)16-13-10-12(20-2)4-5-14(13)23-15(16)11-18-6-8-21-9-7-18;/h4-5,10H,3,6-9,11H2,1-2H3;1H