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

Systemtic Name: 4-[[bis(prop-2-enyl)azaniumyl]methyl]-5-methyl-furan-2-carboxylate Openeye Name: 4-[(diallylammonio)methyl]-5-methyl-furan-2-carboxylate CAS Name: 4-[[bis(prop-2-enyl)ammonio]methyl]-5-methyl-2-furancarboxylate IUPAC Name: 4-[[bis(prop-2-enyl)azaniumyl]methyl]-5-methylfuran-2-carboxylate Traditional Name: 4-[(diallylammonio)methyl]-5-methyl-2-furoate Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-4-6-14(7-5-2)9-11-8-12(13(15)16)17-10(11)3/h4-5,8H,1-2,6-7,9H2,3H3,(H,15,16)