3-methyl-2-[5-(3-methylisoquinolin-2-ium-2-yl)pentyl]isoquinolin-2-ium bromide

Systemtic Name: 3-methyl-2-[5-(3-methylisoquinolin-2-ium-2-yl)pentyl]isoquinolin-2-ium bromide Openeye Name: 3-methyl-2-[5-(3-methylisoquinolin-2-ium-2-yl)pentyl]isoquinolin-2-ium bromide CAS Name: 3-methyl-2-[5-(3-methyl-2-isoquinolin-2-iumyl)pentyl]isoquinolin-2-ium bromide IUPAC Name: 3-methyl-2-[5-(3-methylisoquinolin-2-ium-2-yl)pentyl]isoquinolin-2-ium bromide Traditional Name: 3-methyl-2-[5-(3-methylisoquinolin-2-ium-2-yl)pentyl]isoquinolin-2-ium bromide Formula: C25H28BrN2+ MolecularWeight: 436.40722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2.BrH/c1-20-16-22-10-4-6-12-24(22)18-26(20)14-8-3-9-15-27-19-25-13-7-5-11-23(25)17-21(27)2;/h4-7,10-13,16-19H,3,8-9,14-15H2,1-2H3;1H/q+2;/p-1