1-[[3-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,7,10-tetrazacyclododecane hexahydrobromide

Systemtic Name: 1-[[3-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,7,10-tetrazacyclododecane hexahydrobromide Openeye Name: 1-[[3-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,7,10-tetrazacyclododecane hexahydrobromide CAS Name: 1-[[3-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,7,10-tetrazacyclododecane hexahydrobromide IUPAC Name: 1-[[3-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,7,10-tetrazacyclododecane hexahydrobromide Traditional Name: 1-[3-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzyl]-1,4,7,10-tetrazacyclododecane hexahydrobromide Formula: C24H52Br6N8 MolecularWeight: 932.14728

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCNCCN1)CC2=CC(=CC=C2)CN3CCNCCNCCNCC3.Br.Br.Br.Br.Br.Br

Isomeric SMILES

C1CNCCN(CCNCCN1)CC2=CC(=CC=C2)CN3CCNCCNCCNCC3.Br.Br.Br.Br.Br.Br

InChI

InChI=1S/C24H46N8.6BrH/c1-2-23(21-31-16-12-27-8-4-25-5-9-28-13-17-31)20-24(3-1)22-32-18-14-29-10-6-26-7-11-30-15-19-32;;;;;;/h1-3,20,25-30H,4-19,21-22H2;6*1H