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

Systemtic Name: dodecyl-[[2-[[dodecyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethyl-azanium; 2-oxidanylpropanoate Openeye Name: dodecyl-[[2-[[dodecyl(dimethyl)ammonio]methyl]phenyl]methyl]-dimethyl-ammonium; 2-hydroxypropanoate CAS Name: dodecyl-[[2-[[dodecyl(dimethyl)ammonio]methyl]phenyl]methyl]-dimethylammonium; 2-hydroxypropanoate IUPAC Name: dodecyl-[[2-[[dodecyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium; 2-hydroxypropanoate Traditional Name: lactate; lauryl-[2-[[lauryl(dimethyl)ammonio]methyl]benzyl]-dimethyl-ammonium Formula: C39H75N2O3+ MolecularWeight: 620.0244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H70N2.C3H6O3/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;1-2(4)3(5)6/h25-26,29-30H,7-24,27-28,31-34H2,1-6H3;2,4H,1H3,(H,5,6)/q+2;/p-1