2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]isoquinolin-2-ium dibromide

Systemtic Name: 2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]isoquinolin-2-ium dibromide Openeye Name: 2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]isoquinolin-2-ium dibromide CAS Name: 2-[4-(1-methyl-1-pyrrolidin-1-iumyl)butyl]isoquinolin-2-ium dibromide IUPAC Name: 2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]isoquinolin-2-ium dibromide Traditional Name: 2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]isoquinolin-2-ium dibromide Formula: C18H26Br2N2 MolecularWeight: 430.22044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2.2BrH/c1-20(14-6-7-15-20)13-5-4-11-19-12-10-17-8-2-3-9-18(17)16-19;;/h2-3,8-10,12,16H,4-7,11,13-15H2,1H3;2*1H/q+2;;/p-2