3-methyl-2-[2-(3-methylisoquinolin-2-ium-2-yl)ethyl]isoquinolin-2-ium bromide

Systemtic Name: 3-methyl-2-[2-(3-methylisoquinolin-2-ium-2-yl)ethyl]isoquinolin-2-ium bromide Openeye Name: 3-methyl-2-[2-(3-methylisoquinolin-2-ium-2-yl)ethyl]isoquinolin-2-ium bromide CAS Name: 3-methyl-2-[2-(3-methyl-2-isoquinolin-2-iumyl)ethyl]isoquinolin-2-ium bromide IUPAC Name: 3-methyl-2-[2-(3-methylisoquinolin-2-ium-2-yl)ethyl]isoquinolin-2-ium bromide Traditional Name: 3-methyl-2-[2-(3-methylisoquinolin-2-ium-2-yl)ethyl]isoquinolin-2-ium bromide Formula: C22H22BrN2+ MolecularWeight: 394.32748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C=[N+]1CC[N+]3=CC4=CC=CC=C4C=C3C.[Br-]

Isomeric SMILES

CC1=CC2=CC=CC=C2C=[N+]1CC[N+]3=CC4=CC=CC=C4C=C3C.[Br-]

InChI

InChI=1S/C22H22N2.BrH/c1-17-13-19-7-3-5-9-21(19)15-23(17)11-12-24-16-22-10-6-4-8-20(22)14-18(24)2;/h3-10,13-16H,11-12H2,1-2H3;1H/q+2;/p-1