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

Systemtic Name: ethyl 2-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-carboxylate chloride Openeye Name: ethyl 5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)benzofuran-3-carboxylate chloride CAS Name: 5-hydroxy-2-(4-morpholin-4-iumylmethyl)-3-benzofurancarboxylic acid ethyl ester chloride IUPAC Name: ethyl 5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxylate chloride Traditional Name: 5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)benzofuran-3-carboxylic acid ethyl ester chloride Formula: C16H20ClNO5 MolecularWeight: 341.7867

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5.ClH/c1-2-21-16(19)15-12-9-11(18)3-4-13(12)22-14(15)10-17-5-7-20-8-6-17;/h3-4,9,18H,2,5-8,10H2,1H3;1H