6-[dimethyl(3-phenoxypropyl)azaniumyl]hexyl-dimethyl-(3-phenoxypropyl)azanium dibromide

Systemtic Name: 6-[dimethyl(3-phenoxypropyl)azaniumyl]hexyl-dimethyl-(3-phenoxypropyl)azanium dibromide Openeye Name: 6-[dimethyl(3-phenoxypropyl)ammonio]hexyl-dimethyl-(3-phenoxypropyl)ammonium dibromide CAS Name: 6-[dimethyl(3-phenoxypropyl)ammonio]hexyl-dimethyl-(3-phenoxypropyl)ammonium dibromide IUPAC Name: 6-[dimethyl(3-phenoxypropyl)azaniumyl]hexyl-dimethyl-(3-phenoxypropyl)azanium dibromide Traditional Name: 6-[dimethyl(3-phenoxypropyl)ammonio]hexyl-dimethyl-(3-phenoxypropyl)ammonium dibromide Formula: C28H46Br2N2O2 MolecularWeight: 602.48504

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCC[N+](C)(C)CCCOC1=CC=CC=C1)CCCOC2=CC=CC=C2.[Br-].[Br-]

Isomeric SMILES

C[N+](C)(CCCCCC[N+](C)(C)CCCOC1=CC=CC=C1)CCCOC2=CC=CC=C2.[Br-].[Br-]

InChI

InChI=1S/C28H46N2O2.2BrH/c1-29(2,23-15-25-31-27-17-9-7-10-18-27)21-13-5-6-14-22-30(3,4)24-16-26-32-28-19-11-8-12-20-28;;/h7-12,17-20H,5-6,13-16,21-26H2,1-4H3;2*1H/q+2;;/p-2