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

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)sulfonyl-4-(2-methylprop-2-enyl)piperazin-4-ium Openeye Name: 1-(4-bromo-2-chloro-phenyl)sulfonyl-4-(2-methylallyl)piperazin-4-ium CAS Name: 1-(4-bromo-2-chlorophenyl)sulfonyl-4-(2-methylprop-2-enyl)piperazin-4-ium IUPAC Name: 1-(4-bromo-2-chlorophenyl)sulfonyl-4-(2-methylprop-2-enyl)piperazin-4-ium Traditional Name: 1-(4-bromo-2-chloro-phenyl)sulfonyl-4-(2-methylallyl)piperazin-4-ium Formula: C14H19BrClN2O2S+ MolecularWeight: 394.73486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrClN2O2S/c1-11(2)10-17-5-7-18(8-6-17)21(19,20)14-4-3-12(15)9-13(14)16/h3-4,9H,1,5-8,10H2,2H3/p+1