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

Systemtic Name: ethyl 5-oxidanyl-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate chloride Openeye Name: ethyl 5-hydroxy-2-(piperidin-1-ium-1-ylmethyl)benzofuran-3-carboxylate chloride CAS Name: 5-hydroxy-2-(1-piperidin-1-iumylmethyl)-3-benzofurancarboxylic acid ethyl ester chloride IUPAC Name: ethyl 5-hydroxy-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate chloride Traditional Name: 5-hydroxy-2-(piperidin-1-ium-1-ylmethyl)benzofuran-3-carboxylic acid ethyl ester chloride Formula: C17H22ClNO4 MolecularWeight: 339.81388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C[NH+]3CCCCC3.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C[NH+]3CCCCC3.[Cl-]

InChI

InChI=1S/C17H21NO4.ClH/c1-2-21-17(20)16-13-10-12(19)6-7-14(13)22-15(16)11-18-8-4-3-5-9-18;/h6-7,10,19H,2-5,8-9,11H2,1H3;1H