3-[3,5-bis(bromanyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[3,5-bis(bromanyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-(3,5-dibromopyridin-1-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-(3,5-dibromo-1-pyridin-1-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(3,5-dibromopyridin-1-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(3,5-dibromopyridin-1-ium-1-yl)propane-1-sulfonic acid Formula: C8H10Br2NO3S+ MolecularWeight: 360.0429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=[N+](C=C1Br)CCCS(=O)(=O)O)Br

Isomeric SMILES

C1=C(C=[N+](C=C1Br)CCCS(=O)(=O)O)Br

InChI

InChI=1S/C8H9Br2NO3S/c9-7-4-8(10)6-11(5-7)2-1-3-15(12,13)14/h4-6H,1-3H2/p+1