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

Systemtic Name: 4-[(diethylazaniumyl)methyl]-5-propyl-furan-2-carboxylate Openeye Name: 4-[(diethylammonio)methyl]-5-propyl-furan-2-carboxylate CAS Name: 4-[(diethylammonio)methyl]-5-propyl-2-furancarboxylate IUPAC Name: 4-[(diethylazaniumyl)methyl]-5-propylfuran-2-carboxylate Traditional Name: 4-[(diethylammonio)methyl]-5-propyl-2-furoate Formula: C13H21NO3 MolecularWeight: 239.31074

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(O1)C(=O)[O-])C[NH+](CC)CC

Isomeric SMILES

CCCC1=C(C=C(O1)C(=O)[O-])C[NH+](CC)CC

InChI

InChI=1S/C13H21NO3/c1-4-7-11-10(9-14(5-2)6-3)8-12(17-11)13(15)16/h8H,4-7,9H2,1-3H3,(H,15,16)