2-(4-isoquinolin-2-ium-2-ylbutyl)isoquinolin-2-ium bromide

Systemtic Name: 2-(4-isoquinolin-2-ium-2-ylbutyl)isoquinolin-2-ium bromide Openeye Name: 2-(4-isoquinolin-2-ium-2-ylbutyl)isoquinolin-2-ium bromide CAS Name: 2-[4-(2-isoquinolin-2-iumyl)butyl]isoquinolin-2-ium bromide IUPAC Name: 2-(4-isoquinolin-2-ium-2-ylbutyl)isoquinolin-2-ium bromide Traditional Name: 2-(4-isoquinolin-2-ium-2-ylbutyl)isoquinolin-2-ium bromide Formula: C22H22BrN2+ MolecularWeight: 394.32748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2.BrH/c1-3-9-21-17-23(15-11-19(21)7-1)13-5-6-14-24-16-12-20-8-2-4-10-22(20)18-24;/h1-4,7-12,15-18H,5-6,13-14H2;1H/q+2;/p-1