3-(4-bromanylisoquinolin-2-ium-2-yl)propyl-trimethyl-azanium dibromide

Systemtic Name: 3-(4-bromanylisoquinolin-2-ium-2-yl)propyl-trimethyl-azanium dibromide Openeye Name: 3-(4-bromoisoquinolin-2-ium-2-yl)propyl-trimethyl-ammonium dibromide CAS Name: 3-(4-bromo-2-isoquinolin-2-iumyl)propyl-trimethylammonium dibromide IUPAC Name: 3-(4-bromoisoquinolin-2-ium-2-yl)propyl-trimethylazanium dibromide Traditional Name: 3-(4-bromoisoquinolin-2-ium-2-yl)propyl-trimethyl-ammonium dibromide Formula: C15H21Br3N2 MolecularWeight: 469.05264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrN2.2BrH/c1-18(2,3)10-6-9-17-11-13-7-4-5-8-14(13)15(16)12-17;;/h4-5,7-8,11-12H,6,9-10H2,1-3H3;2*1H/q+2;;/p-2