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

Systemtic Name: 4-[[tert-butyl(ethyl)azaniumyl]methyl]-5-methyl-furan-2-carboxylate Openeye Name: 4-[[tert-butyl(ethyl)ammonio]methyl]-5-methyl-furan-2-carboxylate CAS Name: 4-[[tert-butyl(ethyl)ammonio]methyl]-5-methyl-2-furancarboxylate IUPAC Name: 4-[[tert-butyl(ethyl)azaniumyl]methyl]-5-methylfuran-2-carboxylate Traditional Name: 4-[[tert-butyl(ethyl)ammonio]methyl]-5-methyl-2-furoate Formula: C13H21NO3 MolecularWeight: 239.31074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO3/c1-6-14(13(3,4)5)8-10-7-11(12(15)16)17-9(10)2/h7H,6,8H2,1-5H3,(H,15,16)