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

Systemtic Name: 4-methylsulfanyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Openeye Name: 4-methylsulfanyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide CAS Name: 4-(methylthio)-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzenesulfonamide IUPAC Name: 4-methylsulfanyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Traditional Name: 4-(methylthio)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Formula: C14H23N2O2S2+ MolecularWeight: 315.47462

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)NCCC[NH+]2CCCC2

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)NCCC[NH+]2CCCC2

InChI

InChI=1S/C14H22N2O2S2/c1-19-13-5-7-14(8-6-13)20(17,18)15-9-4-12-16-10-2-3-11-16/h5-8,15H,2-4,9-12H2,1H3/p+1