4-[(diethylazaniumyl)methyl]-5-ethyl-furan-2-carboxylate

Systemtic Name: 4-[(diethylazaniumyl)methyl]-5-ethyl-furan-2-carboxylate Openeye Name: 4-[(diethylammonio)methyl]-5-ethyl-furan-2-carboxylate CAS Name: 4-[(diethylammonio)methyl]-5-ethyl-2-furancarboxylate IUPAC Name: 4-[(diethylazaniumyl)methyl]-5-ethylfuran-2-carboxylate Traditional Name: 4-[(diethylammonio)methyl]-5-ethyl-2-furoate Formula: C12H19NO3 MolecularWeight: 225.28416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO3/c1-4-10-9(8-13(5-2)6-3)7-11(16-10)12(14)15/h7H,4-6,8H2,1-3H3,(H,14,15)