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

Systemtic Name: 3-methyl-5-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-2-carboxylate Openeye Name: 3-methyl-5-(morpholin-4-ium-4-ylmethyl)benzofuran-2-carboxylate CAS Name: 3-methyl-5-(4-morpholin-4-iumylmethyl)-2-benzofurancarboxylate IUPAC Name: 3-methyl-5-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-methyl-5-(morpholin-4-ium-4-ylmethyl)coumarilate Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)C[NH+]3CCOCC3)C(=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)C[NH+]3CCOCC3)C(=O)[O-]

InChI

InChI=1S/C15H17NO4/c1-10-12-8-11(9-16-4-6-19-7-5-16)2-3-13(12)20-14(10)15(17)18/h2-3,8H,4-7,9H2,1H3,(H,17,18)