5-[[bis(prop-2-enyl)azaniumyl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[bis(prop-2-enyl)azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[(diallylammonio)methyl]furan-2-carboxylate CAS Name: 5-[[bis(prop-2-enyl)ammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[bis(prop-2-enyl)azaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[(diallylammonio)methyl]-2-furoate Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-3-7-13(8-4-2)9-10-5-6-11(16-10)12(14)15/h3-6H,1-2,7-9H2,(H,14,15)