ethyl 2-methyl-5-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-(1-piperidin-1-iumylmethyl)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)benzofuran-3-carboxylic acid ethyl ester Formula: C18H24NO4+ MolecularWeight: 318.38746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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