3-piperazin-4-ium-1-yl-N,N-di(propan-2-yl)benzenesulfonamide

Systemtic Name: 3-piperazin-4-ium-1-yl-N,N-di(propan-2-yl)benzenesulfonamide Openeye Name: N,N-diisopropyl-3-piperazin-4-ium-1-yl-benzenesulfonamide CAS Name: 3-(1-piperazin-4-iumyl)-N,N-di(propan-2-yl)benzenesulfonamide IUPAC Name: 3-piperazin-4-ium-1-yl-N,N-di(propan-2-yl)benzenesulfonamide Traditional Name: N,N-diisopropyl-3-piperazin-4-ium-1-yl-benzenesulfonamide Formula: C16H28N3O2S+ MolecularWeight: 326.47742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O2S/c1-13(2)19(14(3)4)22(20,21)16-7-5-6-15(12-16)18-10-8-17-9-11-18/h5-7,12-14,17H,8-11H2,1-4H3/p+1