4-methylsulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide

Systemtic Name: 4-methylsulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide Openeye Name: 4-methylsulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide CAS Name: 4-(methylthio)-N-[3-(1-piperidin-1-iumyl)propyl]benzenesulfonamide IUPAC Name: 4-methylsulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide Traditional Name: 4-(methylthio)-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide Formula: C15H25N2O2S2+ MolecularWeight: 329.5012

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)NCCC[NH+]2CCCCC2

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)NCCC[NH+]2CCCCC2

InChI

InChI=1S/C15H24N2O2S2/c1-20-14-6-8-15(9-7-14)21(18,19)16-10-5-13-17-11-3-2-4-12-17/h6-9,16H,2-5,10-13H2,1H3/p+1