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4-[diethyl(octadecyl)azaniumyl]butyl-diethyl-octadecyl-azanium dichloride

4-[diethyl(octadecyl)azaniumyl]butyl-diethyl-octadecyl-azanium dichloride

Systemtic Name:4-[diethyl(octadecyl)azaniumyl]butyl-diethyl-octadecyl-azanium dichloride
Openeye Name:4-[diethyl(octadecyl)ammonio]butyl-diethyl-octadecyl-ammonium dichloride
CAS Name:4-[diethyl(octadecyl)ammonio]butyl-diethyl-octadecylammonium dichloride
IUPAC Name:4-[diethyl(octadecyl)azaniumyl]butyl-diethyl-octadecylazanium dichloride
Traditional Name:4-[diethyl(stearyl)ammonio]butyl-diethyl-stearyl-ammonium dichloride
Formula: C48H102Cl2N2
MolecularWeight: 778.24288
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](CC)(CC)CCCC[N+](CC)(CC)CCCCCCCCCCCCCCCCCC.[Cl-].[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](CC)(CC)CCCC[N+](CC)(CC)CCCCCCCCCCCCCCCCCC.[Cl-].[Cl-]


InChI

InChI=1S/C48H102N2.2ClH/c1-7-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45-49(9-3,10-4)47-43-44-48-50(11-5,12-6)46-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-8-2;;/h7-48H2,1-6H3;2*1H/q+2;;/p-2


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