1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)naphthalen-1-yl]methyl]-1,4,8,11-tetrazacyclotetradecane tetrahydrate octahydrobromide

Systemtic Name: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)naphthalen-1-yl]methyl]-1,4,8,11-tetrazacyclotetradecane tetrahydrate octahydrobromide Openeye Name: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-1-naphthyl]methyl]-1,4,8,11-tetrazacyclotetradecane tetrahydrate octahydrobromide CAS Name: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-1-naphthalenyl]methyl]-1,4,8,11-tetrazacyclotetradecane tetrahydrate octahydrobromide IUPAC Name: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)naphthalen-1-yl]methyl]-1,4,8,11-tetrazacyclotetradecane tetrahydrate octahydrobromide Traditional Name: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-1-naphthyl]methyl]-1,4,8,11-tetrazacyclotetradecane tetrahydrate octahydrobromide Formula: C32H72Br8N8O4 MolecularWeight: 1272.19728

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCNC1)CC2=CC=C(C3=CC=CC=C23)CN4CCCNCCNCCCNCC4.O.O.O.O.Br.Br.Br.Br.Br.Br.Br.Br

Isomeric SMILES

C1CNCCNCCCN(CCNC1)CC2=CC=C(C3=CC=CC=C23)CN4CCCNCCNCCCNCC4.O.O.O.O.Br.Br.Br.Br.Br.Br.Br.Br

InChI

InChI=1S/C32H56N8.8BrH.4H2O/c1-2-8-32-30(28-40-24-6-16-36-20-18-34-12-4-14-38-22-26-40)10-9-29(31(32)7-1)27-39-23-5-15-35-19-17-33-11-3-13-37-21-25-39;;;;;;;;;;;;/h1-2,7-10,33-38H,3-6,11-28H2;8*1H;4*1H2