6-[6-[diethyl(propyl)azaniumyl]hexyl-propyl-sulfonio]hexyl-diethyl-propyl-azanium triiodide

Systemtic Name: 6-[6-[diethyl(propyl)azaniumyl]hexyl-propyl-sulfonio]hexyl-diethyl-propyl-azanium triiodide Openeye Name: 6-[6-[diethyl(propyl)ammonio]hexyl-propyl-sulfonio]hexyl-diethyl-propyl-ammonium triiodide CAS Name: 6-[6-[diethyl(propyl)ammonio]hexyl-propylsulfonio]hexyl-diethyl-propylammonium triiodide IUPAC Name: 6-[6-[diethyl(propyl)azaniumyl]hexyl-propylsulfonio]hexyl-diethyl-propylazanium triiodide Traditional Name: 6-[6-[diethyl(propyl)ammonio]hexyl-propyl-sulfonio]hexyl-diethyl-propyl-ammonium triiodide Formula: C29H65I3N2S MolecularWeight: 854.61821

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CC)(CC)CCCCCC[S+](CCC)CCCCCC[N+](CC)(CC)CCC.[I-].[I-].[I-]

Isomeric SMILES

CCC[N+](CC)(CC)CCCCCC[S+](CCC)CCCCCC[N+](CC)(CC)CCC.[I-].[I-].[I-]

InChI

InChI=1S/C29H65N2S.3HI/c1-8-23-30(11-4,12-5)25-19-15-17-21-28-32(27-10-3)29-22-18-16-20-26-31(13-6,14-7)24-9-2;;;/h8-29H2,1-7H3;3*1H/q+3;;;/p-3