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

Systemtic Name: ethyl 5-acetyloxy-2-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-(morpholin-4-ium-4-ylmethyl)benzofuran-3-carboxylate CAS Name: 5-acetyloxy-2-(4-morpholin-4-iumylmethyl)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 5-acetoxy-2-(morpholin-4-ium-4-ylmethyl)benzofuran-3-carboxylic acid ethyl ester Formula: C18H22NO6+ MolecularWeight: 348.37038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO6/c1-3-23-18(21)17-14-10-13(24-12(2)20)4-5-15(14)25-16(17)11-19-6-8-22-9-7-19/h4-5,10H,3,6-9,11H2,1-2H3/p+1