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

Systemtic Name: 5-[[butyl(methyl)azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[[butyl(methyl)ammonio]methyl]furan-2-carboxylate CAS Name: 5-[[butyl(methyl)ammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[butyl(methyl)azaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[[butyl(methyl)ammonio]methyl]-2-furoate Formula: C11H17NO3 MolecularWeight: 211.25758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO3/c1-3-4-7-12(2)8-9-5-6-10(15-9)11(13)14/h5-6H,3-4,7-8H2,1-2H3,(H,13,14)