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

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C12H18BrN2O2S+ MolecularWeight: 334.25252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN2O2S/c1-10-9-11(3-4-12(10)13)18(16,17)15-7-5-14(2)6-8-15/h3-4,9H,5-8H2,1-2H3/p+1