2-(19-isoquinolin-2-ium-2-ylnonadecyl)isoquinolin-2-ium diiodide

Systemtic Name: 2-(19-isoquinolin-2-ium-2-ylnonadecyl)isoquinolin-2-ium diiodide Openeye Name: 2-(19-isoquinolin-2-ium-2-ylnonadecyl)isoquinolin-2-ium diiodide CAS Name: 2-[19-(2-isoquinolin-2-iumyl)nonadecyl]isoquinolin-2-ium diiodide IUPAC Name: 2-(19-isoquinolin-2-ium-2-ylnonadecyl)isoquinolin-2-ium diiodide Traditional Name: 2-(19-isoquinolin-2-ium-2-ylnonadecyl)isoquinolin-2-ium diiodide Formula: C37H52I2N2 MolecularWeight: 778.63112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H52N2.2HI/c1(2-4-6-8-10-12-14-20-28-38-30-26-34-22-16-18-24-36(34)32-38)3-5-7-9-11-13-15-21-29-39-31-27-35-23-17-19-25-37(35)33-39;;/h16-19,22-27,30-33H,1-15,20-21,28-29H2;2*1H/q+2;;/p-2