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

Systemtic Name: 5-[[bis(2-methylpropyl)azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[(diisobutylammonio)methyl]furan-2-carboxylate CAS Name: 5-[[bis(2-methylpropyl)ammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[bis(2-methylpropyl)azaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[(diisobutylammonio)methyl]-2-furoate Formula: C14H23NO3 MolecularWeight: 253.33732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO3/c1-10(2)7-15(8-11(3)4)9-12-5-6-13(18-12)14(16)17/h5-6,10-11H,7-9H2,1-4H3,(H,16,17)