N-(3-methylsulfanylphenyl)piperazin-4-ium-1-sulfonamide

Systemtic Name: N-(3-methylsulfanylphenyl)piperazin-4-ium-1-sulfonamide Openeye Name: N-(3-methylsulfanylphenyl)piperazin-4-ium-1-sulfonamide CAS Name: N-[3-(methylthio)phenyl]-1-piperazin-4-iumsulfonamide IUPAC Name: N-(3-methylsulfanylphenyl)piperazin-4-ium-1-sulfonamide Traditional Name: N-[3-(methylthio)phenyl]piperazin-4-ium-1-sulfonamide Formula: C11H18N3O2S2+ MolecularWeight: 288.40952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CSC1=CC=CC(=C1)NS(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C11H17N3O2S2/c1-17-11-4-2-3-10(9-11)13-18(15,16)14-7-5-12-6-8-14/h2-4,9,12-13H,5-8H2,1H3/p+1