2-(5-isoquinolin-2-ium-2-ylpentyl)isoquinolin-2-ium bromide

Systemtic Name: 2-(5-isoquinolin-2-ium-2-ylpentyl)isoquinolin-2-ium bromide Openeye Name: 2-(5-isoquinolin-2-ium-2-ylpentyl)isoquinolin-2-ium bromide CAS Name: 2-[5-(2-isoquinolin-2-iumyl)pentyl]isoquinolin-2-ium bromide IUPAC Name: 2-(5-isoquinolin-2-ium-2-ylpentyl)isoquinolin-2-ium bromide Traditional Name: 2-(5-isoquinolin-2-ium-2-ylpentyl)isoquinolin-2-ium bromide Formula: C23H24BrN2+ MolecularWeight: 408.35406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2.BrH/c1(6-14-24-16-12-20-8-2-4-10-22(20)18-24)7-15-25-17-13-21-9-3-5-11-23(21)19-25;/h2-5,8-13,16-19H,1,6-7,14-15H2;1H/q+2;/p-1