1-(4-bromanyl-2-chloranyl-phenyl)sulfonyl-4-propyl-piperazin-4-ium

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)sulfonyl-4-propyl-piperazin-4-ium Openeye Name: 1-(4-bromo-2-chloro-phenyl)sulfonyl-4-propyl-piperazin-4-ium CAS Name: 1-(4-bromo-2-chlorophenyl)sulfonyl-4-propylpiperazin-4-ium IUPAC Name: 1-(4-bromo-2-chlorophenyl)sulfonyl-4-propylpiperazin-4-ium Traditional Name: 1-(4-bromo-2-chloro-phenyl)sulfonyl-4-propyl-piperazin-4-ium Formula: C13H19BrClN2O2S+ MolecularWeight: 382.72416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C13H18BrClN2O2S/c1-2-5-16-6-8-17(9-7-16)20(18,19)13-4-3-11(14)10-12(13)15/h3-4,10H,2,5-9H2,1H3/p+1