2-(32-isoquinolin-2-ium-2-yldotriacontyl)isoquinolin-2-ium diiodide

Systemtic Name: 2-(32-isoquinolin-2-ium-2-yldotriacontyl)isoquinolin-2-ium diiodide Openeye Name: 2-(32-isoquinolin-2-ium-2-yldotriacontyl)isoquinolin-2-ium diiodide CAS Name: 2-[32-(2-isoquinolin-2-iumyl)dotriacontyl]isoquinolin-2-ium diiodide IUPAC Name: 2-(32-isoquinolin-2-ium-2-yldotriacontyl)isoquinolin-2-ium diiodide Traditional Name: 2-(32-isoquinolin-2-ium-2-yldotriacontyl)isoquinolin-2-ium diiodide Formula: C50H78I2N2 MolecularWeight: 960.97666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H78N2.2HI/c1(3-5-7-9-11-13-15-17-19-21-23-25-27-33-41-51-43-39-47-35-29-31-37-49(47)45-51)2-4-6-8-10-12-14-16-18-20-22-24-26-28-34-42-52-44-40-48-36-30-32-38-50(48)46-52;;/h29-32,35-40,43-46H,1-28,33-34,41-42H2;2*1H/q+2;;/p-2