4-bromanyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 4-bromo-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 4-bromo-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 4-bromo-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]benzenesulfonamide Formula: C18H22BrN2O3S+ MolecularWeight: 426.34788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H21BrN2O3S/c19-17-5-7-18(8-6-17)25(22,23)20-13-15-3-1-2-4-16(15)14-21-9-11-24-12-10-21/h1-8,20H,9-14H2/p+1