N-ethyl-4-methyl-3-piperazin-4-ium-1-yl-benzenesulfonamide

Systemtic Name: N-ethyl-4-methyl-3-piperazin-4-ium-1-yl-benzenesulfonamide Openeye Name: N-ethyl-4-methyl-3-piperazin-4-ium-1-yl-benzenesulfonamide CAS Name: N-ethyl-4-methyl-3-(1-piperazin-4-iumyl)benzenesulfonamide IUPAC Name: N-ethyl-4-methyl-3-piperazin-4-ium-1-ylbenzenesulfonamide Traditional Name: N-ethyl-4-methyl-3-piperazin-4-ium-1-yl-benzenesulfonamide Formula: C13H22N3O2S+ MolecularWeight: 284.39768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC(=C(C=C1)C)N2CC[NH2+]CC2

Isomeric SMILES

CCNS(=O)(=O)C1=CC(=C(C=C1)C)N2CC[NH2+]CC2

InChI

InChI=1S/C13H21N3O2S/c1-3-15-19(17,18)12-5-4-11(2)13(10-12)16-8-6-14-7-9-16/h4-5,10,14-15H,3,6-9H2,1-2H3/p+1