1-(4-bromanyl-3-methyl-phenyl)sulfonyl-4-(2-chloranylprop-2-enyl)piperazin-4-ium

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)sulfonyl-4-(2-chloranylprop-2-enyl)piperazin-4-ium Openeye Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-(2-chloroallyl)piperazin-4-ium CAS Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chloroprop-2-enyl)piperazin-4-ium IUPAC Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chloroprop-2-enyl)piperazin-4-ium Traditional Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-(2-chloroallyl)piperazin-4-ium Formula: C14H19BrClN2O2S+ MolecularWeight: 394.73486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=C)Cl)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=C)Cl)Br

InChI

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