[4-(1,5,9-triazacyclododec-3-ylmethyl)phenyl]methanamine tetrahydrobromide

Systemtic Name: [4-(1,5,9-triazacyclododec-3-ylmethyl)phenyl]methanamine tetrahydrobromide Openeye Name: [4-(1,5,9-triazacyclododec-3-ylmethyl)phenyl]methanamine tetrahydrobromide CAS Name: [4-(1,5,9-triazacyclododec-3-ylmethyl)phenyl]methanamine tetrahydrobromide IUPAC Name: [4-(1,5,9-triazacyclododec-3-ylmethyl)phenyl]methanamine tetrahydrobromide Traditional Name: [4-(1,5,9-triazacyclododec-3-ylmethyl)benzyl]amine tetrahydrobromide Formula: C17H34Br4N4 MolecularWeight: 614.09466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCCNCC(CNC1)CC2=CC=C(C=C2)CN.Br.Br.Br.Br

Isomeric SMILES

C1CNCCCNCC(CNC1)CC2=CC=C(C=C2)CN.Br.Br.Br.Br

InChI

InChI=1S/C17H30N4.4BrH/c18-12-16-5-3-15(4-6-16)11-17-13-20-9-1-7-19-8-2-10-21-14-17;;;;/h3-6,17,19-21H,1-2,7-14,18H2;4*1H