2-[5-[2-(5-isoquinolin-2-ium-2-ylpent-1-ynyl)phenyl]pent-4-ynyl]isoquinolin-2-ium dibromide

Systemtic Name: 2-[5-[2-(5-isoquinolin-2-ium-2-ylpent-1-ynyl)phenyl]pent-4-ynyl]isoquinolin-2-ium dibromide Openeye Name: 2-[5-[2-(5-isoquinolin-2-ium-2-ylpent-1-ynyl)phenyl]pent-4-ynyl]isoquinolin-2-ium dibromide CAS Name: 2-[5-[2-[5-(2-isoquinolin-2-iumyl)pent-1-ynyl]phenyl]pent-4-ynyl]isoquinolin-2-ium dibromide IUPAC Name: 2-[5-[2-(5-isoquinolin-2-ium-2-ylpent-1-ynyl)phenyl]pent-4-ynyl]isoquinolin-2-ium dibromide Traditional Name: 2-[5-[2-(5-isoquinolin-2-ium-2-ylpent-1-ynyl)phenyl]pent-4-ynyl]isoquinolin-2-ium dibromide Formula: C34H30Br2N2 MolecularWeight: 626.4234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CCCC#CC3=CC=CC=C3C#CCCC[N+]4=CC5=CC=CC=C5C=C4.[Br-].[Br-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CCCC#CC3=CC=CC=C3C#CCCC[N+]4=CC5=CC=CC=C5C=C4.[Br-].[Br-]

InChI

InChI=1S/C34H30N2.2BrH/c1(11-23-35-25-21-31-17-7-9-19-33(31)27-35)3-13-29-15-5-6-16-30(29)14-4-2-12-24-36-26-22-32-18-8-10-20-34(32)28-36;;/h5-10,15-22,25-28H,1-2,11-12,23-24H2;2*1H/q+2;;/p-2