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

Systemtic Name: 3-(4-acetamidoisoquinolin-2-ium-2-yl)propyl-trimethyl-azanium dibromide Openeye Name: 3-(4-acetamidoisoquinolin-2-ium-2-yl)propyl-trimethyl-ammonium dibromide CAS Name: 3-(4-acetamido-2-isoquinolin-2-iumyl)propyl-trimethylammonium dibromide IUPAC Name: 3-(4-acetamidoisoquinolin-2-ium-2-yl)propyl-trimethylazanium dibromide Traditional Name: 3-(4-acetamidoisoquinolin-2-ium-2-yl)propyl-trimethyl-ammonium dibromide Formula: C17H25Br2N3O MolecularWeight: 447.2079

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C[N+](=CC2=CC=CC=C21)CCC[N+](C)(C)C.[Br-].[Br-]

Isomeric SMILES

CC(=O)NC1=C[N+](=CC2=CC=CC=C21)CCC[N+](C)(C)C.[Br-].[Br-]

InChI

InChI=1S/C17H24N3O.2BrH/c1-14(21)18-17-13-19(10-7-11-20(2,3)4)12-15-8-5-6-9-16(15)17;;/h5-6,8-9,12-13H,7,10-11H2,1-4H3;2*1H/q+1;;/p-1