5-[[3-(dimethylazaniumyl)propylazaniumyl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[3-(dimethylazaniumyl)propylazaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[[3-(dimethylammonio)propylammonio]methyl]furan-2-carboxylate CAS Name: 5-[[3-(dimethylammonio)propylammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[3-(dimethylazaniumyl)propylazaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[[3-(dimethylammonio)propylammonio]methyl]-2-furoate Formula: C11H19N2O3+ MolecularWeight: 227.28016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]CC1=CC=C(O1)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCC[NH2+]CC1=CC=C(O1)C(=O)[O-]

InChI

InChI=1S/C11H18N2O3/c1-13(2)7-3-6-12-8-9-4-5-10(16-9)11(14)15/h4-5,12H,3,6-8H2,1-2H3,(H,14,15)/p+1