5-ethyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate

Systemtic Name: 5-ethyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate Openeye Name: 5-ethyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate CAS Name: 5-ethyl-4-(4-morpholin-4-iumylmethyl)-2-furancarboxylate IUPAC Name: 5-ethyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate Traditional Name: 5-ethyl-4-(morpholin-4-ium-4-ylmethyl)-2-furoate Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCOCC2

Isomeric SMILES

CCC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCOCC2

InChI

InChI=1S/C12H17NO4/c1-2-10-9(7-11(17-10)12(14)15)8-13-3-5-16-6-4-13/h7H,2-6,8H2,1H3,(H,14,15)