4-(azaniumylmethyl)-5-(2-methylpropyl)furan-2-carboxylate

Systemtic Name: 4-(azaniumylmethyl)-5-(2-methylpropyl)furan-2-carboxylate Openeye Name: 4-(azaniumylmethyl)-5-isobutyl-furan-2-carboxylate CAS Name: 4-(ammoniomethyl)-5-(2-methylpropyl)-2-furancarboxylate IUPAC Name: 4-(azaniumylmethyl)-5-(2-methylpropyl)furan-2-carboxylate Traditional Name: 4-(ammoniomethyl)-5-isobutyl-2-furoate Formula: C10H15NO3 MolecularWeight: 197.231

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=C(O1)C(=O)[O-])C[NH3+]

Isomeric SMILES

CC(C)CC1=C(C=C(O1)C(=O)[O-])C[NH3+]

InChI

InChI=1S/C10H15NO3/c1-6(2)3-8-7(5-11)4-9(14-8)10(12)13/h4,6H,3,5,11H2,1-2H3,(H,12,13)