3-[3-(3-iodanylpropyl)pyridin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[3-(3-iodanylpropyl)pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[3-(3-iodopropyl)pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[3-(3-iodopropyl)-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[3-(3-iodopropyl)pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[3-(3-iodopropyl)pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C11H16INO3S MolecularWeight: 369.21911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCCS(=O)(=O)[O-])CCCI

Isomeric SMILES

C1=CC(=C[N+](=C1)CCCS(=O)(=O)[O-])CCCI

InChI

InChI=1S/C11H16INO3S/c12-6-1-4-11-5-2-7-13(10-11)8-3-9-17(14,15)16/h2,5,7,10H,1,3-4,6,8-9H2