2-(12-isoquinolin-2-ium-2-yldodecyl)isoquinolin-2-ium dibromide

Systemtic Name: 2-(12-isoquinolin-2-ium-2-yldodecyl)isoquinolin-2-ium dibromide Openeye Name: 2-(12-isoquinolin-2-ium-2-yldodecyl)isoquinolin-2-ium dibromide CAS Name: 2-[12-(2-isoquinolin-2-iumyl)dodecyl]isoquinolin-2-ium dibromide IUPAC Name: 2-(12-isoquinolin-2-ium-2-yldodecyl)isoquinolin-2-ium dibromide Traditional Name: 2-(12-isoquinolin-2-ium-2-yldodecyl)isoquinolin-2-ium dibromide Formula: C30H38Br2N2 MolecularWeight: 586.44412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2.2BrH/c1(3-5-7-13-21-31-23-19-27-15-9-11-17-29(27)25-31)2-4-6-8-14-22-32-24-20-28-16-10-12-18-30(28)26-32;;/h9-12,15-20,23-26H,1-8,13-14,21-22H2;2*1H/q+2;;/p-2