3-[5-[(pyridin-3-ylmethylazaniumyl)methyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[(pyridin-3-ylmethylazaniumyl)methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[(3-pyridylmethylammonio)methyl]-2-furyl]benzoate CAS Name: 3-[5-[(3-pyridinylmethylammonio)methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[(pyridin-3-ylmethylazaniumyl)methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(3-pyridylmethylammonio)methyl]-2-furyl]benzoate Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3/c21-18(22)15-5-1-4-14(9-15)17-7-6-16(23-17)12-20-11-13-3-2-8-19-10-13/h1-10,20H,11-12H2,(H,21,22)