2-methyl-1-[[2-[(2-methylisoquinolin-2-ium-1-yl)methyl]phenyl]methyl]isoquinolin-2-ium diiodide

Systemtic Name: 2-methyl-1-[[2-[(2-methylisoquinolin-2-ium-1-yl)methyl]phenyl]methyl]isoquinolin-2-ium diiodide Openeye Name: 2-methyl-1-[[2-[(2-methylisoquinolin-2-ium-1-yl)methyl]phenyl]methyl]isoquinolin-2-ium diiodide CAS Name: 2-methyl-1-[[2-[(2-methyl-1-isoquinolin-2-iumyl)methyl]phenyl]methyl]isoquinolin-2-ium diiodide IUPAC Name: 2-methyl-1-[[2-[(2-methylisoquinolin-2-ium-1-yl)methyl]phenyl]methyl]isoquinolin-2-ium diiodide Traditional Name: 2-methyl-1-[2-[(2-methylisoquinolin-2-ium-1-yl)methyl]benzyl]isoquinolin-2-ium diiodide Formula: C28H26I2N2 MolecularWeight: 644.32838

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=CC=C3CC4=[N+](C=CC5=CC=CC=C54)C.[I-].[I-]

Isomeric SMILES

C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=CC=C3CC4=[N+](C=CC5=CC=CC=C54)C.[I-].[I-]

InChI

InChI=1S/C28H26N2.2HI/c1-29-17-15-21-9-5-7-13-25(21)27(29)19-23-11-3-4-12-24(23)20-28-26-14-8-6-10-22(26)16-18-30(28)2;;/h3-18H,19-20H2,1-2H3;2*1H/q+2;;/p-2