2-[2-(2-isoquinolin-2-ium-2-ylethoxy)ethyl]isoquinolin-2-ium dibromide

Systemtic Name: 2-[2-(2-isoquinolin-2-ium-2-ylethoxy)ethyl]isoquinolin-2-ium dibromide Openeye Name: 2-[2-(2-isoquinolin-2-ium-2-ylethoxy)ethyl]isoquinolin-2-ium dibromide CAS Name: 2-[2-[2-(2-isoquinolin-2-iumyl)ethoxy]ethyl]isoquinolin-2-ium dibromide IUPAC Name: 2-[2-(2-isoquinolin-2-ium-2-ylethoxy)ethyl]isoquinolin-2-ium dibromide Traditional Name: 2-[2-(2-isoquinolin-2-ium-2-ylethoxy)ethyl]isoquinolin-2-ium dibromide Formula: C22H22Br2N2O MolecularWeight: 490.23088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O.2BrH/c1-3-7-21-17-23(11-9-19(21)5-1)13-15-25-16-14-24-12-10-20-6-2-4-8-22(20)18-24;;/h1-12,17-18H,13-16H2;2*1H/q+2;;/p-2