N-(1-methylpiperidin-1-ium-4-yl)-4-(2-methylpropyl)benzenesulfonamide

Systemtic Name: N-(1-methylpiperidin-1-ium-4-yl)-4-(2-methylpropyl)benzenesulfonamide Openeye Name: 4-isobutyl-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide CAS Name: N-(1-methyl-4-piperidin-1-iumyl)-4-(2-methylpropyl)benzenesulfonamide IUPAC Name: N-(1-methylpiperidin-1-ium-4-yl)-4-(2-methylpropyl)benzenesulfonamide Traditional Name: 4-isobutyl-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide Formula: C16H27N2O2S+ MolecularWeight: 311.46278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)C

InChI

InChI=1S/C16H26N2O2S/c1-13(2)12-14-4-6-16(7-5-14)21(19,20)17-15-8-10-18(3)11-9-15/h4-7,13,15,17H,8-12H2,1-3H3/p+1