3-methyl-2-[10-(3-methylisoquinolin-2-ium-2-yl)decyl]isoquinolin-2-ium bromide

Systemtic Name: 3-methyl-2-[10-(3-methylisoquinolin-2-ium-2-yl)decyl]isoquinolin-2-ium bromide Openeye Name: 3-methyl-2-[10-(3-methylisoquinolin-2-ium-2-yl)decyl]isoquinolin-2-ium bromide CAS Name: 3-methyl-2-[10-(3-methyl-2-isoquinolin-2-iumyl)decyl]isoquinolin-2-ium bromide IUPAC Name: 3-methyl-2-[10-(3-methylisoquinolin-2-ium-2-yl)decyl]isoquinolin-2-ium bromide Traditional Name: 3-methyl-2-[10-(3-methylisoquinolin-2-ium-2-yl)decyl]isoquinolin-2-ium bromide Formula: C30H38BrN2+ MolecularWeight: 506.54012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2.BrH/c1-25-21-27-15-9-11-17-29(27)23-31(25)19-13-7-5-3-4-6-8-14-20-32-24-30-18-12-10-16-28(30)22-26(32)2;/h9-12,15-18,21-24H,3-8,13-14,19-20H2,1-2H3;1H/q+2;/p-1