3-[5-[[3-(2-hydroxyethylazaniumyl)propylazaniumyl]methyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[[3-(2-hydroxyethylazaniumyl)propylazaniumyl]methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[[3-(2-hydroxyethylammonio)propylammonio]methyl]-2-furyl]benzoate CAS Name: 3-[5-[[3-(2-hydroxyethylammonio)propylammonio]methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[[3-(2-hydroxyethylazaniumyl)propylazaniumyl]methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[[3-(2-hydroxyethylammonio)propylammonio]methyl]-2-furyl]benzoate Formula: C17H23N2O4+ MolecularWeight: 319.37552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C[NH2+]CCC[NH2+]CCO

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C[NH2+]CCC[NH2+]CCO

InChI

InChI=1S/C17H22N2O4/c20-10-9-18-7-2-8-19-12-15-5-6-16(23-15)13-3-1-4-14(11-13)17(21)22/h1,3-6,11,18-20H,2,7-10,12H2,(H,21,22)/p+1