[3-ethyl-1-(furan-2-ylmethylamino)-1-oxidanylidene-pentan-3-yl]azanium iodide

Systemtic Name: [3-ethyl-1-(furan-2-ylmethylamino)-1-oxidanylidene-pentan-3-yl]azanium iodide Openeye Name: [1,1-diethyl-3-(2-furylmethylamino)-3-oxo-propyl]ammonium iodide CAS Name: [3-ethyl-1-(2-furanylmethylamino)-1-oxopentan-3-yl]ammonium iodide IUPAC Name: [3-ethyl-1-(furan-2-ylmethylamino)-1-oxopentan-3-yl]azanium iodide Traditional Name: [1,1-diethyl-3-(2-furfurylamino)-3-keto-propyl]ammonium iodide Formula: C12H21IN2O2 MolecularWeight: 352.21181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NCC1=CC=CO1)[NH3+].[I-]

Isomeric SMILES

CCC(CC)(CC(=O)NCC1=CC=CO1)[NH3+].[I-]

InChI

InChI=1S/C12H20N2O2.HI/c1-3-12(13,4-2)8-11(15)14-9-10-6-5-7-16-10;/h5-7H,3-4,8-9,13H2,1-2H3,(H,14,15);1H