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

Systemtic Name: 4-(azaniumylmethyl)-5-propyl-furan-2-carboxylate Openeye Name: 4-(azaniumylmethyl)-5-propyl-furan-2-carboxylate CAS Name: 4-(ammoniomethyl)-5-propyl-2-furancarboxylate IUPAC Name: 4-(azaniumylmethyl)-5-propylfuran-2-carboxylate Traditional Name: 4-(ammoniomethyl)-5-propyl-2-furoate Formula: C9H13NO3 MolecularWeight: 183.20442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(O1)C(=O)[O-])C[NH3+]

Isomeric SMILES

CCCC1=C(C=C(O1)C(=O)[O-])C[NH3+]

InChI

InChI=1S/C9H13NO3/c1-2-3-7-6(5-10)4-8(13-7)9(11)12/h4H,2-3,5,10H2,1H3,(H,11,12)