5-[[(phenylmethyl)azaniumyl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[(phenylmethyl)azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[(benzylammonio)methyl]furan-2-carboxylate CAS Name: 5-[[(phenylmethyl)ammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[(benzylazaniumyl)methyl]furan-2-carboxylate Traditional Name: 5-[(benzylammonio)methyl]-2-furoate Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C13H13NO3/c15-13(16)12-7-6-11(17-12)9-14-8-10-4-2-1-3-5-10/h1-7,14H,8-9H2,(H,15,16)