cobalt(2+); 1-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane; bromide

Systemtic Name: cobalt(2+); 1-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane; bromide Openeye Name: cobaltous 1-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane bromide CAS Name: cobalt(2+); 1-[[4-[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane; bromide IUPAC Name: cobalt(2+); 1-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane; bromide Traditional Name: cobaltous 1-[4-[(3-methylimidazol-3-ium-1-yl)methyl]benzyl]-1,4,7,10-tetrazacyclododecane bromide Formula: C20H33BrCoN6+2 MolecularWeight: 496.35342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)CN3CCNCCNCCNCC3.[Co+2].[Br-]

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)CN3CCNCCNCCNCC3.[Co+2].[Br-]

InChI

InChI=1S/C20H33N6.BrH.Co/c1-24-14-15-26(18-24)17-20-4-2-19(3-5-20)16-25-12-10-22-8-6-21-7-9-23-11-13-25;;/h2-5,14-15,18,21-23H,6-13,16-17H2,1H3;1H;/q+1;;+2/p-1