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

Systemtic Name: 6-[6-[diethyl(methyl)azaniumyl]hexyl-methyl-sulfonio]hexyl-diethyl-methyl-azanium triiodide Openeye Name: 6-[6-[diethyl(methyl)ammonio]hexyl-methyl-sulfonio]hexyl-diethyl-methyl-ammonium triiodide CAS Name: 6-[6-[diethyl(methyl)ammonio]hexyl-methylsulfonio]hexyl-diethyl-methylammonium triiodide IUPAC Name: 6-[6-[diethyl(methyl)azaniumyl]hexyl-methylsulfonio]hexyl-diethyl-methylazanium triiodide Traditional Name: 6-[6-[diethyl(methyl)ammonio]hexyl-methyl-sulfonio]hexyl-diethyl-methyl-ammonium triiodide Formula: C23H53I3N2S MolecularWeight: 770.45873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H53N2S.3HI/c1-8-24(5,9-2)20-16-12-14-18-22-26(7)23-19-15-13-17-21-25(6,10-3)11-4;;;/h8-23H2,1-7H3;3*1H/q+3;;;/p-3