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

Systemtic Name: 4-[[(5-phenylfuran-2-yl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(5-phenyl-2-furyl)methylammonio]methyl]benzoate CAS Name: 4-[[(5-phenyl-2-furanyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(5-phenylfuran-2-yl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(5-phenyl-2-furyl)methylammonio]methyl]benzoate Formula: C19H17NO3 MolecularWeight: 307.34318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H17NO3/c21-19(22)16-8-6-14(7-9-16)12-20-13-17-10-11-18(23-17)15-4-2-1-3-5-15/h1-11,20H,12-13H2,(H,21,22)