dodecyl-[[2-[[dodecyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethyl-azanium sulfate

Systemtic Name: dodecyl-[[2-[[dodecyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethyl-azanium sulfate Openeye Name: dodecyl-[[2-[[dodecyl(dimethyl)ammonio]methyl]phenyl]methyl]-dimethyl-ammonium sulfate CAS Name: dodecyl-[[2-[[dodecyl(dimethyl)ammonio]methyl]phenyl]methyl]-dimethylammonium sulfate IUPAC Name: dodecyl-[[2-[[dodecyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium sulfate Traditional Name: lauryl-[2-[[lauryl(dimethyl)ammonio]methyl]benzyl]-dimethyl-ammonium sulfate Formula: C36H70N2O4S MolecularWeight: 627.017

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1C[N+](C)(C)CCCCCCCCCCCC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1C[N+](C)(C)CCCCCCCCCCCC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C36H70N2.H2O4S/c1-7-9-11-13-15-17-19-21-23-27-31-37(3,4)33-35-29-25-26-30-36(35)34-38(5,6)32-28-24-22-20-18-16-14-12-10-8-2;1-5(2,3)4/h25-26,29-30H,7-24,27-28,31-34H2,1-6H3;(H2,1,2,3,4)/q+2;/p-2