3-isoquinolin-2-ium-2-ylpropyl(dimethyl)azanium bromide chloride

Systemtic Name: 3-isoquinolin-2-ium-2-ylpropyl(dimethyl)azanium bromide chloride Openeye Name: 3-isoquinolin-2-ium-2-ylpropyl(dimethyl)ammonium bromide chloride CAS Name: 3-(2-isoquinolin-2-iumyl)propyl-dimethylammonium bromide chloride IUPAC Name: 3-isoquinolin-2-ium-2-ylpropyl(dimethyl)azanium bromide chloride Traditional Name: 3-isoquinolin-2-ium-2-ylpropyl(dimethyl)ammonium bromide chloride Formula: C14H20BrClN2 MolecularWeight: 331.679

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[N+]1=CC2=CC=CC=C2C=C1.[Cl-].[Br-]

Isomeric SMILES

C[NH+](C)CCC[N+]1=CC2=CC=CC=C2C=C1.[Cl-].[Br-]

InChI

InChI=1S/C14H19N2.BrH.ClH/c1-15(2)9-5-10-16-11-8-13-6-3-4-7-14(13)12-16;;/h3-4,6-8,11-12H,5,9-10H2,1-2H3;2*1H/q+1;;/p-1