1-(5-bromanyl-2,4-dimethyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-(5-bromanyl-2,4-dimethyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(5-bromo-2,4-dimethyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(5-bromo-2,4-dimethylphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(5-bromo-2,4-dimethylphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(5-bromo-2,4-dimethyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C13H20BrN2O2S+ MolecularWeight: 348.2791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N2CC[NH+](CC2)C)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N2CC[NH+](CC2)C)Br)C

InChI

InChI=1S/C13H19BrN2O2S/c1-10-8-11(2)13(9-12(10)14)19(17,18)16-6-4-15(3)5-7-16/h8-9H,4-7H2,1-3H3/p+1