6-[(6-iodanyl-1-methyl-pyridin-1-ium-3-yl)carbonylamino]hexanoic acid iodide

Systemtic Name: 6-[(6-iodanyl-1-methyl-pyridin-1-ium-3-yl)carbonylamino]hexanoic acid iodide Openeye Name: 6-[(6-iodo-1-methyl-pyridin-1-ium-3-carbonyl)amino]hexanoic acid iodide CAS Name: 6-[[(6-iodo-1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]hexanoic acid iodide IUPAC Name: 6-[(6-iodo-1-methylpyridin-1-ium-3-carbonyl)amino]hexanoic acid iodide Traditional Name: 6-[(6-iodo-1-methyl-pyridin-1-ium-3-carbonyl)amino]hexanoic acid iodide Formula: C13H18I2N2O3 MolecularWeight: 504.10256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC(=C1)C(=O)NCCCCCC(=O)O)I.[I-]

Isomeric SMILES

C[N+]1=C(C=CC(=C1)C(=O)NCCCCCC(=O)O)I.[I-]

InChI

InChI=1S/C13H17IN2O3.HI/c1-16-9-10(6-7-11(16)14)13(19)15-8-4-2-3-5-12(17)18;/h6-7,9H,2-5,8H2,1H3,(H-,15,17,18,19);1H