3-methyl-2-[4-(3-methylisoquinolin-2-ium-2-yl)butyl]isoquinolin-2-ium bromide

Systemtic Name: 3-methyl-2-[4-(3-methylisoquinolin-2-ium-2-yl)butyl]isoquinolin-2-ium bromide Openeye Name: 3-methyl-2-[4-(3-methylisoquinolin-2-ium-2-yl)butyl]isoquinolin-2-ium bromide CAS Name: 3-methyl-2-[4-(3-methyl-2-isoquinolin-2-iumyl)butyl]isoquinolin-2-ium bromide IUPAC Name: 3-methyl-2-[4-(3-methylisoquinolin-2-ium-2-yl)butyl]isoquinolin-2-ium bromide Traditional Name: 3-methyl-2-[4-(3-methylisoquinolin-2-ium-2-yl)butyl]isoquinolin-2-ium bromide Formula: C24H26BrN2+ MolecularWeight: 422.38064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2.BrH/c1-19-15-21-9-3-5-11-23(21)17-25(19)13-7-8-14-26-18-24-12-6-4-10-22(24)16-20(26)2;/h3-6,9-12,15-18H,7-8,13-14H2,1-2H3;1H/q+2;/p-1