2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]isoquinolin-2-ium dibromide

Systemtic Name: 2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]isoquinolin-2-ium dibromide Openeye Name: 2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]isoquinolin-2-ium dibromide CAS Name: 2-[3-(1-methyl-1-pyrrolidin-1-iumyl)propyl]isoquinolin-2-ium dibromide IUPAC Name: 2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]isoquinolin-2-ium dibromide Traditional Name: 2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]isoquinolin-2-ium dibromide Formula: C17H24Br2N2 MolecularWeight: 416.19386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCC[N+]2=CC3=CC=CC=C3C=C2.[Br-].[Br-]

Isomeric SMILES

C[N+]1(CCCC1)CCC[N+]2=CC3=CC=CC=C3C=C2.[Br-].[Br-]

InChI

InChI=1S/C17H24N2.2BrH/c1-19(12-4-5-13-19)14-6-10-18-11-9-16-7-2-3-8-17(16)15-18;;/h2-3,7-9,11,15H,4-6,10,12-14H2,1H3;2*1H/q+2;;/p-2