4-[5-[(methylazaniumyl)methyl]furan-2-yl]benzoate

Systemtic Name: 4-[5-[(methylazaniumyl)methyl]furan-2-yl]benzoate Openeye Name: 4-[5-[(methylammonio)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(methylammonio)methyl]-2-furanyl]benzoate IUPAC Name: 4-[5-[(methylazaniumyl)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(methylammonio)methyl]-2-furyl]benzoate Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC1=CC=C(O1)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[NH2+]CC1=CC=C(O1)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H13NO3/c1-14-8-11-6-7-12(17-11)9-2-4-10(5-3-9)13(15)16/h2-7,14H,8H2,1H3,(H,15,16)