2-bromanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 2-bromanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 2-bromo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 2-bromo-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 2-bromo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 2-bromo-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzenesulfonamide Formula: C19H24BrN2O2S+ MolecularWeight: 424.37506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C19H23BrN2O2S/c20-18-6-2-3-7-19(18)25(23,24)21-14-16-8-10-17(11-9-16)15-22-12-4-1-5-13-22/h2-3,6-11,21H,1,4-5,12-15H2/p+1