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

Systemtic Name: 4-[[ethyl(2-hydroxyethyl)azaniumyl]methyl]-5-methyl-furan-2-carboxylate Openeye Name: 4-[[ethyl(2-hydroxyethyl)ammonio]methyl]-5-methyl-furan-2-carboxylate CAS Name: 4-[[ethyl(2-hydroxyethyl)ammonio]methyl]-5-methyl-2-furancarboxylate IUPAC Name: 4-[[ethyl(2-hydroxyethyl)azaniumyl]methyl]-5-methylfuran-2-carboxylate Traditional Name: 4-[[ethyl(2-hydroxyethyl)ammonio]methyl]-5-methyl-2-furoate Formula: C11H17NO4 MolecularWeight: 227.25698

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCO)CC1=C(OC(=C1)C(=O)[O-])C

Isomeric SMILES

CC[NH+](CCO)CC1=C(OC(=C1)C(=O)[O-])C

InChI

InChI=1S/C11H17NO4/c1-3-12(4-5-13)7-9-6-10(11(14)15)16-8(9)2/h6,13H,3-5,7H2,1-2H3,(H,14,15)