2-(5-isoquinolin-2-ium-2-ylhexan-2-yl)isoquinolin-2-ium bromide

Systemtic Name: 2-(5-isoquinolin-2-ium-2-ylhexan-2-yl)isoquinolin-2-ium bromide Openeye Name: 2-(4-isoquinolin-2-ium-2-yl-1-methyl-pentyl)isoquinolin-2-ium bromide CAS Name: 2-[5-(2-isoquinolin-2-iumyl)hexan-2-yl]isoquinolin-2-ium bromide IUPAC Name: 2-(5-isoquinolin-2-ium-2-ylhexan-2-yl)isoquinolin-2-ium bromide Traditional Name: 2-(4-isoquinolin-2-ium-2-yl-1-methyl-pentyl)isoquinolin-2-ium bromide Formula: C24H26BrN2+ MolecularWeight: 422.38064

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C)[N+]1=CC2=CC=CC=C2C=C1)[N+]3=CC4=CC=CC=C4C=C3.[Br-]

Isomeric SMILES

CC(CCC(C)[N+]1=CC2=CC=CC=C2C=C1)[N+]3=CC4=CC=CC=C4C=C3.[Br-]

InChI

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