5-bromanyl-2-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide

Systemtic Name: 5-bromanyl-2-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Openeye Name: 5-bromo-2-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide CAS Name: 5-bromo-2-methyl-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzenesulfonamide IUPAC Name: 5-bromo-2-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Traditional Name: 5-bromo-2-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Formula: C14H22BrN2O2S+ MolecularWeight: 362.30568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)S(=O)(=O)NCCC[NH+]2CCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)NCCC[NH+]2CCCC2

InChI

InChI=1S/C14H21BrN2O2S/c1-12-5-6-13(15)11-14(12)20(18,19)16-7-4-10-17-8-2-3-9-17/h5-6,11,16H,2-4,7-10H2,1H3/p+1