N-(2,5-dimethylphenyl)piperazin-4-ium-1-sulfonamide

Systemtic Name: N-(2,5-dimethylphenyl)piperazin-4-ium-1-sulfonamide Openeye Name: N-(2,5-dimethylphenyl)piperazin-4-ium-1-sulfonamide CAS Name: N-(2,5-dimethylphenyl)-1-piperazin-4-iumsulfonamide IUPAC Name: N-(2,5-dimethylphenyl)piperazin-4-ium-1-sulfonamide Traditional Name: N-(2,5-dimethylphenyl)piperazin-4-ium-1-sulfonamide Formula: C12H20N3O2S+ MolecularWeight: 270.3711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NS(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C12H19N3O2S/c1-10-3-4-11(2)12(9-10)14-18(16,17)15-7-5-13-6-8-15/h3-4,9,13-14H,5-8H2,1-2H3/p+1