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

Systemtic Name: 3-bromanyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 3-bromo-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 3-bromo-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 3-bromo-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 3-bromo-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]benzenesulfonamide Formula: C18H22BrN2O3S+ MolecularWeight: 426.34788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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