1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]methanamine pentahydrobromide

Systemtic Name: 1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]methanamine pentahydrobromide Openeye Name: 1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]methanamine pentahydrobromide CAS Name: 1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]methanamine pentahydrobromide IUPAC Name: 1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]methanamine pentahydrobromide Traditional Name: benzyl-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzyl]amine pentahydrobromide Formula: C25H44Br5N5 MolecularWeight: 814.17036

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCC3=CC=CC=C3.Br.Br.Br.Br.Br

Isomeric SMILES

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCC3=CC=CC=C3.Br.Br.Br.Br.Br

InChI

InChI=1S/C25H39N5.5BrH/c1-2-6-23(7-3-1)20-29-21-24-8-10-25(11-9-24)22-30-18-5-14-27-16-15-26-12-4-13-28-17-19-30;;;;;/h1-3,6-11,26-29H,4-5,12-22H2;5*1H