N-(2,6-dimethylpiperidin-1-ium-1-yl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(2,6-dimethylpiperidin-1-ium-1-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(2,6-dimethylpiperidin-1-ium-1-yl)-4-nitro-benzenesulfonamide CAS Name: N-(2,6-dimethyl-1-piperidin-1-iumyl)-4-nitrobenzenesulfonamide IUPAC Name: N-(2,6-dimethylpiperidin-1-ium-1-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(2,6-dimethylpiperidin-1-ium-1-yl)-4-nitro-benzenesulfonamide Formula: C13H20N3O4S+ MolecularWeight: 314.3806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1CCCC([NH+]1NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H19N3O4S/c1-10-4-3-5-11(2)15(10)14-21(19,20)13-8-6-12(7-9-13)16(17)18/h6-11,14H,3-5H2,1-2H3/p+1