5-ethyl-4-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate

Systemtic Name: 5-ethyl-4-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate Openeye Name: 5-ethyl-4-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate CAS Name: 5-ethyl-4-(4-morpholin-4-iumylmethyl)-3-furancarboxylate IUPAC Name: 5-ethyl-4-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate Traditional Name: 5-ethyl-4-(morpholin-4-ium-4-ylmethyl)-3-furoate Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CO1)C(=O)[O-])C[NH+]2CCOCC2

Isomeric SMILES

CCC1=C(C(=CO1)C(=O)[O-])C[NH+]2CCOCC2

InChI

InChI=1S/C12H17NO4/c1-2-11-9(10(8-17-11)12(14)15)7-13-3-5-16-6-4-13/h8H,2-7H2,1H3,(H,14,15)