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

Systemtic Name: N-butyl-4-methyl-3-piperazin-4-ium-1-yl-benzenesulfonamide Openeye Name: N-butyl-4-methyl-3-piperazin-4-ium-1-yl-benzenesulfonamide CAS Name: N-butyl-4-methyl-3-(1-piperazin-4-iumyl)benzenesulfonamide IUPAC Name: N-butyl-4-methyl-3-piperazin-4-ium-1-ylbenzenesulfonamide Traditional Name: N-butyl-4-methyl-3-piperazin-4-ium-1-yl-benzenesulfonamide Formula: C15H26N3O2S+ MolecularWeight: 312.45084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3O2S/c1-3-4-7-17-21(19,20)14-6-5-13(2)15(12-14)18-10-8-16-9-11-18/h5-6,12,16-17H,3-4,7-11H2,1-2H3/p+1