4-bromanyl-N-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]benzenesulfonamide Openeye Name: 4-bromo-N-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]benzenesulfonamide CAS Name: 4-bromo-N-[2-[(2S)-1-methyl-2-pyrrolidin-1-iumyl]ethyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]benzenesulfonamide Traditional Name: 4-bromo-N-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]benzenesulfonamide Formula: C13H20BrN2O2S+ MolecularWeight: 348.2791

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1CCNS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C[NH+]1CCC[C@H]1CCNS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H19BrN2O2S/c1-16-10-2-3-12(16)8-9-15-19(17,18)13-6-4-11(14)5-7-13/h4-7,12,15H,2-3,8-10H2,1H3/p+1/t12-/m0/s1