3-[[butyl(methyl)azaniumyl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: 3-[[butyl(methyl)azaniumyl]methyl]-1-benzofuran-2-carboxylate Openeye Name: 3-[[butyl(methyl)ammonio]methyl]benzofuran-2-carboxylate CAS Name: 3-[[butyl(methyl)ammonio]methyl]-2-benzofurancarboxylate IUPAC Name: 3-[[butyl(methyl)azaniumyl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[butyl(methyl)ammonio]methyl]coumarilate Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(OC2=CC=CC=C21)C(=O)[O-]

Isomeric SMILES

CCCC[NH+](C)CC1=C(OC2=CC=CC=C21)C(=O)[O-]

InChI

InChI=1S/C15H19NO3/c1-3-4-9-16(2)10-12-11-7-5-6-8-13(11)19-14(12)15(17)18/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)