2-[5-[3,5-bis(5-isoquinolin-2-ium-2-ylpentyl)phenyl]pentyl]isoquinolin-2-ium tribromide

Systemtic Name: 2-[5-[3,5-bis(5-isoquinolin-2-ium-2-ylpentyl)phenyl]pentyl]isoquinolin-2-ium tribromide Openeye Name: 2-[5-[3,5-bis(5-isoquinolin-2-ium-2-ylpentyl)phenyl]pentyl]isoquinolin-2-ium tribromide CAS Name: 2-[5-[3,5-bis[5-(2-isoquinolin-2-iumyl)pentyl]phenyl]pentyl]isoquinolin-2-ium tribromide IUPAC Name: 2-[5-[3,5-bis(5-isoquinolin-2-ium-2-ylpentyl)phenyl]pentyl]isoquinolin-2-ium tribromide Traditional Name: 2-[5-[3,5-bis(5-isoquinolin-2-ium-2-ylpentyl)phenyl]pentyl]isoquinolin-2-ium tribromide Formula: C48H54Br3N3 MolecularWeight: 912.67446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CCCCCC3=CC(=CC(=C3)CCCCC[N+]4=CC5=CC=CC=C5C=C4)CCCCC[N+]6=CC7=CC=CC=C7C=C6.[Br-].[Br-].[Br-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CCCCCC3=CC(=CC(=C3)CCCCC[N+]4=CC5=CC=CC=C5C=C4)CCCCC[N+]6=CC7=CC=CC=C7C=C6.[Br-].[Br-].[Br-]

InChI

InChI=1S/C48H54N3.3BrH/c1(13-28-49-31-25-43-19-7-10-22-46(43)37-49)4-16-40-34-41(17-5-2-14-29-50-32-26-44-20-8-11-23-47(44)38-50)36-42(35-40)18-6-3-15-30-51-33-27-45-21-9-12-24-48(45)39-51;;;/h7-12,19-27,31-39H,1-6,13-18,28-30H2;3*1H/q+3;;;/p-3