5-tert-butyl-3-[(diethylazaniumyl)methyl]furan-2-carboxylate

Systemtic Name: 5-tert-butyl-3-[(diethylazaniumyl)methyl]furan-2-carboxylate Openeye Name: 5-tert-butyl-3-[(diethylammonio)methyl]furan-2-carboxylate CAS Name: 5-tert-butyl-3-[(diethylammonio)methyl]-2-furancarboxylate IUPAC Name: 5-tert-butyl-3-[(diethylazaniumyl)methyl]furan-2-carboxylate Traditional Name: 5-tert-butyl-3-[(diethylammonio)methyl]-2-furoate Formula: C14H23NO3 MolecularWeight: 253.33732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(OC(=C1)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C(OC(=C1)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C14H23NO3/c1-6-15(7-2)9-10-8-11(14(3,4)5)18-12(10)13(16)17/h8H,6-7,9H2,1-5H3,(H,16,17)