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

Systemtic Name: ethyl 5-methoxy-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate chloride Openeye Name: ethyl 5-methoxy-2-(piperidin-1-ium-1-ylmethyl)benzofuran-3-carboxylate chloride CAS Name: 5-methoxy-2-(1-piperidin-1-iumylmethyl)-3-benzofurancarboxylic acid ethyl ester chloride IUPAC Name: ethyl 5-methoxy-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate chloride Traditional Name: 5-methoxy-2-(piperidin-1-ium-1-ylmethyl)benzofuran-3-carboxylic acid ethyl ester chloride Formula: C18H24ClNO4 MolecularWeight: 353.84046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO4.ClH/c1-3-22-18(20)17-14-11-13(21-2)7-8-15(14)23-16(17)12-19-9-5-4-6-10-19;/h7-8,11H,3-6,9-10,12H2,1-2H3;1H