hexyl(3-triphenylphosphaniumylpropyl)azanium dibromide

Systemtic Name: hexyl(3-triphenylphosphaniumylpropyl)azanium dibromide Openeye Name: hexyl(3-triphenylphosphaniumylpropyl)ammonium dibromide CAS Name: hexyl(3-triphenylphosphiniumylpropyl)ammonium dibromide IUPAC Name: hexyl(3-triphenylphosphaniumylpropyl)azanium dibromide Traditional Name: hexyl(3-triphenylphosphiniumylpropyl)ammonium dibromide Formula: C27H36Br2NP MolecularWeight: 565.363201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-].[Br-]

Isomeric SMILES

CCCCCC[NH2+]CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-].[Br-]

InChI

InChI=1S/C27H35NP.2BrH/c1-2-3-4-14-22-28-23-15-24-29(25-16-8-5-9-17-25,26-18-10-6-11-19-26)27-20-12-7-13-21-27;;/h5-13,16-21,28H,2-4,14-15,22-24H2,1H3;2*1H/q+1;;/p-1