4-(azaniumylmethyl)-2,5-dimethyl-furan-3-carboxylate

Systemtic Name: 4-(azaniumylmethyl)-2,5-dimethyl-furan-3-carboxylate Openeye Name: 4-(azaniumylmethyl)-2,5-dimethyl-furan-3-carboxylate CAS Name: 4-(ammoniomethyl)-2,5-dimethyl-3-furancarboxylate IUPAC Name: 4-(azaniumylmethyl)-2,5-dimethylfuran-3-carboxylate Traditional Name: 4-(ammoniomethyl)-2,5-dimethyl-3-furoate Formula: C8H11NO3 MolecularWeight: 169.17784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO3/c1-4-6(3-9)7(8(10)11)5(2)12-4/h3,9H2,1-2H3,(H,10,11)