3-[dimethyl-(phenylmethyl)azaniumyl]propyl-dimethyl-(phenylmethyl)azanium dibromide

Systemtic Name: 3-[dimethyl-(phenylmethyl)azaniumyl]propyl-dimethyl-(phenylmethyl)azanium dibromide Openeye Name: benzyl-[3-[benzyl(dimethyl)ammonio]propyl]-dimethyl-ammonium dibromide CAS Name: 3-[dimethyl-(phenylmethyl)ammonio]propyl-dimethyl-(phenylmethyl)ammonium dibromide IUPAC Name: benzyl-[3-[benzyl(dimethyl)azaniumyl]propyl]-dimethylazanium dibromide Traditional Name: benzyl-[3-[benzyl(dimethyl)ammonio]propyl]-dimethyl-ammonium dibromide Formula: C21H32Br2N2 MolecularWeight: 472.30018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC[N+](C)(C)CC1=CC=CC=C1)CC2=CC=CC=C2.[Br-].[Br-]

Isomeric SMILES

C[N+](C)(CCC[N+](C)(C)CC1=CC=CC=C1)CC2=CC=CC=C2.[Br-].[Br-]

InChI

InChI=1S/C21H32N2.2BrH/c1-22(2,18-20-12-7-5-8-13-20)16-11-17-23(3,4)19-21-14-9-6-10-15-21;;/h5-10,12-15H,11,16-19H2,1-4H3;2*1H/q+2;;/p-2