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

Systemtic Name: 4-[5-[(prop-2-enylazaniumyl)methyl]furan-2-yl]benzoate Openeye Name: 4-[5-[(allylammonio)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(prop-2-enylammonio)methyl]-2-furanyl]benzoate IUPAC Name: 4-[5-[(prop-2-enylazaniumyl)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(allylammonio)methyl]-2-furyl]benzoate Formula: C15H15NO3 MolecularWeight: 257.2845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO3/c1-2-9-16-10-13-7-8-14(19-13)11-3-5-12(6-4-11)15(17)18/h2-8,16H,1,9-10H2,(H,17,18)