2-(18-isoquinolin-2-ium-2-yloctadecyl)isoquinolin-2-ium diiodide

Systemtic Name: 2-(18-isoquinolin-2-ium-2-yloctadecyl)isoquinolin-2-ium diiodide Openeye Name: 2-(18-isoquinolin-2-ium-2-yloctadecyl)isoquinolin-2-ium diiodide CAS Name: 2-[18-(2-isoquinolin-2-iumyl)octadecyl]isoquinolin-2-ium diiodide IUPAC Name: 2-(18-isoquinolin-2-ium-2-yloctadecyl)isoquinolin-2-ium diiodide Traditional Name: 2-(18-isoquinolin-2-ium-2-yloctadecyl)isoquinolin-2-ium diiodide Formula: C36H50I2N2 MolecularWeight: 764.60454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H50N2.2HI/c1(3-5-7-9-11-13-19-27-37-29-25-33-21-15-17-23-35(33)31-37)2-4-6-8-10-12-14-20-28-38-30-26-34-22-16-18-24-36(34)32-38;;/h15-18,21-26,29-32H,1-14,19-20,27-28H2;2*1H/q+2;;/p-2