1-[4-[[dimethyl(octadecyl)azaniumyl]methyl]phenyl]tridecyl-dimethyl-octadecyl-azanium dichloride

Systemtic Name: 1-[4-[[dimethyl(octadecyl)azaniumyl]methyl]phenyl]tridecyl-dimethyl-octadecyl-azanium dichloride Openeye Name: 1-[4-[[dimethyl(octadecyl)ammonio]methyl]phenyl]tridecyl-dimethyl-octadecyl-ammonium dichloride CAS Name: 1-[4-[[dimethyl(octadecyl)ammonio]methyl]phenyl]tridecyl-dimethyl-octadecylammonium dichloride IUPAC Name: 1-[4-[[dimethyl(octadecyl)azaniumyl]methyl]phenyl]tridecyl-dimethyl-octadecylazanium dichloride Traditional Name: 1-[4-[[dimethyl(stearyl)ammonio]methyl]phenyl]tridecyl-dimethyl-stearyl-ammonium dichloride Formula: C60H118Cl2N2 MolecularWeight: 938.49832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C(CCCCCCCCCCCC)[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C(CCCCCCCCCCCC)[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-].[Cl-]

InChI

InChI=1S/C60H118N2.2ClH/c1-8-11-14-17-20-23-26-28-30-32-34-36-39-42-45-48-55-61(4,5)57-58-51-53-59(54-52-58)60(50-47-44-41-38-25-22-19-16-13-10-3)62(6,7)56-49-46-43-40-37-35-33-31-29-27-24-21-18-15-12-9-2;;/h51-54,60H,8-50,55-57H2,1-7H3;2*1H/q+2;;/p-2