2-(22-isoquinolin-2-ium-2-yldocosyl)isoquinolin-2-ium diiodide

Systemtic Name: 2-(22-isoquinolin-2-ium-2-yldocosyl)isoquinolin-2-ium diiodide Openeye Name: 2-(22-isoquinolin-2-ium-2-yldocosyl)isoquinolin-2-ium diiodide CAS Name: 2-[22-(2-isoquinolin-2-iumyl)docosyl]isoquinolin-2-ium diiodide IUPAC Name: 2-(22-isoquinolin-2-ium-2-yldocosyl)isoquinolin-2-ium diiodide Traditional Name: 2-(22-isoquinolin-2-ium-2-yldocosyl)isoquinolin-2-ium diiodide Formula: C40H58I2N2 MolecularWeight: 820.71086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CCCCCCCCCCCCCCCCCCCCCC[N+]3=CC4=CC=CC=C4C=C3.[I-].[I-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CCCCCCCCCCCCCCCCCCCCCC[N+]3=CC4=CC=CC=C4C=C3.[I-].[I-]

InChI

InChI=1S/C40H58N2.2HI/c1(3-5-7-9-11-13-15-17-23-31-41-33-29-37-25-19-21-27-39(37)35-41)2-4-6-8-10-12-14-16-18-24-32-42-34-30-38-26-20-22-28-40(38)36-42;;/h19-22,25-30,33-36H,1-18,23-24,31-32H2;2*1H/q+2;;/p-2