3-bromanyl-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide

Systemtic Name: 3-bromanyl-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide Openeye Name: 3-bromo-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide CAS Name: 3-bromo-N-(1-methyl-4-piperidin-1-iumyl)benzenesulfonamide IUPAC Name: 3-bromo-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide Traditional Name: 3-bromo-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide Formula: C12H18BrN2O2S+ MolecularWeight: 334.25252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NS(=O)(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

C[NH+]1CCC(CC1)NS(=O)(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C12H17BrN2O2S/c1-15-7-5-11(6-8-15)14-18(16,17)12-4-2-3-10(13)9-12/h2-4,9,11,14H,5-8H2,1H3/p+1