[(3R)-3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]butyl]azanium

Systemtic Name: [(3R)-3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]butyl]azanium Openeye Name: [(3R)-3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]butyl]ammonium CAS Name: [(3R)-3-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]butyl]ammonium IUPAC Name: [(3R)-3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]butyl]azanium Traditional Name: [(3R)-3-(4-besylpiperazin-1-ium-1-yl)butyl]ammonium Formula: C14H25N3O2S+2 MolecularWeight: 299.4322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH3+])[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CC[NH3+])[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H23N3O2S/c1-13(7-8-15)16-9-11-17(12-10-16)20(18,19)14-5-3-2-4-6-14/h2-6,13H,7-12,15H2,1H3/p+2/t13-/m1/s1