N-methyl-2-(2-phenylmethoxy-1,4,7,10-tetrazacyclododec-1-yl)ethanamide trihydrochloride

Systemtic Name: N-methyl-2-(2-phenylmethoxy-1,4,7,10-tetrazacyclododec-1-yl)ethanamide trihydrochloride Openeye Name: 2-(2-benzyloxy-1,4,7,10-tetrazacyclododec-1-yl)-N-methyl-acetamide trihydrochloride CAS Name: N-methyl-2-(2-phenylmethoxy-1,4,7,10-tetrazacyclododec-1-yl)acetamide trihydrochloride IUPAC Name: N-methyl-2-(2-phenylmethoxy-1,4,7,10-tetrazacyclododec-1-yl)acetamide trihydrochloride Traditional Name: 2-(2-benzoxy-1,4,7,10-tetrazacyclododec-1-yl)-N-methyl-acetamide trihydrochloride Formula: C18H34Cl3N5O2 MolecularWeight: 458.85386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN1CCNCCNCCNCC1OCC2=CC=CC=C2.Cl.Cl.Cl

Isomeric SMILES

CNC(=O)CN1CCNCCNCCNCC1OCC2=CC=CC=C2.Cl.Cl.Cl

InChI

InChI=1S/C18H31N5O2.3ClH/c1-19-17(24)14-23-12-11-21-8-7-20-9-10-22-13-18(23)25-15-16-5-3-2-4-6-16;;;/h2-6,18,20-22H,7-15H2,1H3,(H,19,24);3*1H