1-(1-adamantyl)-4-[2,4,5-tris(chloranyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-adamantyl)-4-[2,4,5-tris(chloranyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(2,4,5-trichlorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-(2,4,5-trichlorophenyl)sulfonyl-piperazin-1-ium Formula: C20H26Cl3N2O2S+ MolecularWeight: 464.85664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC(=C(C=C5Cl)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC(=C(C=C5Cl)Cl)Cl

InChI

InChI=1S/C20H25Cl3N2O2S/c21-16-8-18(23)19(9-17(16)22)28(26,27)25-3-1-24(2-4-25)20-10-13-5-14(11-20)7-15(6-13)12-20/h8-9,13-15H,1-7,10-12H2/p+1