3-[5-[(3-morpholin-4-ium-4-ylpropylazaniumyl)methyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[(3-morpholin-4-ium-4-ylpropylazaniumyl)methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[(3-morpholin-4-ium-4-ylpropylammonio)methyl]-2-furyl]benzoate CAS Name: 3-[5-[[3-(4-morpholin-4-iumyl)propylammonio]methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[(3-morpholin-4-ium-4-ylpropylazaniumyl)methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(3-morpholin-4-ium-4-ylpropylammonio)methyl]-2-furyl]benzoate Formula: C19H25N2O4+ MolecularWeight: 345.4128

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH2+]CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCC[NH2+]CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)[O-]

InChI

InChI=1S/C19H24N2O4/c22-19(23)16-4-1-3-15(13-16)18-6-5-17(25-18)14-20-7-2-8-21-9-11-24-12-10-21/h1,3-6,13,20H,2,7-12,14H2,(H,22,23)/p+1