5-[[butyl(ethyl)azaniumyl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[butyl(ethyl)azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[[butyl(ethyl)ammonio]methyl]furan-2-carboxylate CAS Name: 5-[[butyl(ethyl)ammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[butyl(ethyl)azaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[[butyl(ethyl)ammonio]methyl]-2-furoate Formula: C12H19NO3 MolecularWeight: 225.28416

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)CC1=CC=C(O1)C(=O)[O-]

Isomeric SMILES

CCCC[NH+](CC)CC1=CC=C(O1)C(=O)[O-]

InChI

InChI=1S/C12H19NO3/c1-3-5-8-13(4-2)9-10-6-7-11(16-10)12(14)15/h6-7H,3-5,8-9H2,1-2H3,(H,14,15)