2-(2-isoquinolin-2-ium-2-ylethyl)isoquinolin-2-ium bromide

Systemtic Name: 2-(2-isoquinolin-2-ium-2-ylethyl)isoquinolin-2-ium bromide Openeye Name: 2-(2-isoquinolin-2-ium-2-ylethyl)isoquinolin-2-ium bromide CAS Name: 2-[2-(2-isoquinolin-2-iumyl)ethyl]isoquinolin-2-ium bromide IUPAC Name: 2-(2-isoquinolin-2-ium-2-ylethyl)isoquinolin-2-ium bromide Traditional Name: 2-(2-isoquinolin-2-ium-2-ylethyl)isoquinolin-2-ium bromide Formula: C20H18BrN2+ MolecularWeight: 366.27432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2.BrH/c1-3-7-19-15-21(11-9-17(19)5-1)13-14-22-12-10-18-6-2-4-8-20(18)16-22;/h1-12,15-16H,13-14H2;1H/q+2;/p-1