6-[dimethyl-(phenylmethyl)azaniumyl]hexyl-dimethyl-(phenylmethyl)azanium diiodide

Systemtic Name: 6-[dimethyl-(phenylmethyl)azaniumyl]hexyl-dimethyl-(phenylmethyl)azanium diiodide Openeye Name: benzyl-[6-[benzyl(dimethyl)ammonio]hexyl]-dimethyl-ammonium diiodide CAS Name: 6-[dimethyl-(phenylmethyl)ammonio]hexyl-dimethyl-(phenylmethyl)ammonium diiodide IUPAC Name: benzyl-[6-[benzyl(dimethyl)azaniumyl]hexyl]-dimethylazanium diiodide Traditional Name: benzyl-[6-[benzyl(dimethyl)ammonio]hexyl]-dimethyl-ammonium diiodide Formula: C24H38I2N2 MolecularWeight: 608.38086

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCC[N+](C)(C)CC1=CC=CC=C1)CC2=CC=CC=C2.[I-].[I-]

Isomeric SMILES

C[N+](C)(CCCCCC[N+](C)(C)CC1=CC=CC=C1)CC2=CC=CC=C2.[I-].[I-]

InChI

InChI=1S/C24H38N2.2HI/c1-25(2,21-23-15-9-7-10-16-23)19-13-5-6-14-20-26(3,4)22-24-17-11-8-12-18-24;;/h7-12,15-18H,5-6,13-14,19-22H2,1-4H3;2*1H/q+2;;/p-2