1-(4-methylphenyl)sulfonyl-1,4,7-triazonane-4,7-diium dibromide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-1,4,7-triazonane-4,7-diium dibromide Openeye Name: 1-(p-tolylsulfonyl)-1,4,7-triazonane-4,7-diium dibromide CAS Name: 1-(4-methylphenyl)sulfonyl-1,4,7-triazonane-4,7-diium dibromide IUPAC Name: 1-(4-methylphenyl)sulfonyl-1,4,7-triazonane-4,7-diium dibromide Traditional Name: 1-tosyl-1,4,7-triazonane-4,7-diium dibromide Formula: C13H23Br2N3O2S MolecularWeight: 445.21362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH2+]CC[NH2+]CC2.[Br-].[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH2+]CC[NH2+]CC2.[Br-].[Br-]

InChI

InChI=1S/C13H21N3O2S.2BrH/c1-12-2-4-13(5-3-12)19(17,18)16-10-8-14-6-7-15-9-11-16;;/h2-5,14-15H,6-11H2,1H3;2*1H