(2,4-dichlorophenyl)methyl-tridodecyl-azanium

Systemtic Name: (2,4-dichlorophenyl)methyl-tridodecyl-azanium Openeye Name: (2,4-dichlorophenyl)methyl-tridodecyl-ammonium CAS Name: (2,4-dichlorophenyl)methyl-tridodecylammonium IUPAC Name: (2,4-dichlorophenyl)methyl-tridodecylazanium Traditional Name: (2,4-dichlorobenzyl)-trilauryl-ammonium Formula: C43H80Cl2N+ MolecularWeight: 682.008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CC1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C43H80Cl2N/c1-4-7-10-13-16-19-22-25-28-31-36-46(40-41-34-35-42(44)39-43(41)45,37-32-29-26-23-20-17-14-11-8-5-2)38-33-30-27-24-21-18-15-12-9-6-3/h34-35,39H,4-33,36-38,40H2,1-3H3/q+1