dodecyl-[[4-[[dodecyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethyl-azanium ethanoate

Systemtic Name: dodecyl-[[4-[[dodecyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethyl-azanium ethanoate Openeye Name: dodecyl-[[4-[[dodecyl(dimethyl)ammonio]methyl]phenyl]methyl]-dimethyl-ammonium acetate CAS Name: dodecyl-[[4-[[dodecyl(dimethyl)ammonio]methyl]phenyl]methyl]-dimethylammonium acetate IUPAC Name: dodecyl-[[4-[[dodecyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium acetate Traditional Name: lauryl-[4-[[lauryl(dimethyl)ammonio]methyl]benzyl]-dimethyl-ammonium acetate Formula: C38H73N2O2+ MolecularWeight: 589.99842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H70N2.C2H4O2/c1-7-9-11-13-15-17-19-21-23-25-31-37(3,4)33-35-27-29-36(30-28-35)34-38(5,6)32-26-24-22-20-18-16-14-12-10-8-2;1-2(3)4/h27-30H,7-26,31-34H2,1-6H3;1H3,(H,3,4)/q+2;/p-1