2-pyridin-2-yl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]ethanamine hexahydrobromide

Systemtic Name: 2-pyridin-2-yl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]ethanamine hexahydrobromide Openeye Name: 2-(2-pyridyl)-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]ethanamine hexahydrobromide CAS Name: 2-(2-pyridinyl)-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]ethanamine hexahydrobromide IUPAC Name: 2-pyridin-2-yl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]ethanamine hexahydrobromide Traditional Name: 2-(2-pyridyl)ethyl-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzyl]amine hexahydrobromide Formula: C25H46Br6N6 MolecularWeight: 910.09694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCCC3=CC=CC=N3.Br.Br.Br.Br.Br.Br

Isomeric SMILES

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCCC3=CC=CC=N3.Br.Br.Br.Br.Br.Br

InChI

InChI=1S/C25H40N6.6BrH/c1-2-14-30-25(5-1)10-15-29-21-23-6-8-24(9-7-23)22-31-19-4-13-27-17-16-26-11-3-12-28-18-20-31;;;;;;/h1-2,5-9,14,26-29H,3-4,10-13,15-22H2;6*1H