3-[5-[(3-imidazol-1-ylpropylazaniumyl)methyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[(3-imidazol-1-ylpropylazaniumyl)methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[(3-imidazol-1-ylpropylammonio)methyl]-2-furyl]benzoate CAS Name: 3-[5-[[3-(1-imidazolyl)propylammonio]methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[(3-imidazol-1-ylpropylazaniumyl)methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(3-imidazol-1-ylpropylammonio)methyl]-2-furyl]benzoate Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C[NH2+]CCCN3C=CN=C3

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C[NH2+]CCCN3C=CN=C3

InChI

InChI=1S/C18H19N3O3/c22-18(23)15-4-1-3-14(11-15)17-6-5-16(24-17)12-19-7-2-9-21-10-8-20-13-21/h1,3-6,8,10-11,13,19H,2,7,9,12H2,(H,22,23)