[4-[dimethyl(tridecyl)azaniumyl]-2,3-bis(oxidanyl)butyl]-dimethyl-tridecyl-azanium

Systemtic Name: [4-[dimethyl(tridecyl)azaniumyl]-2,3-bis(oxidanyl)butyl]-dimethyl-tridecyl-azanium Openeye Name: [4-[dimethyl(tridecyl)ammonio]-2,3-dihydroxy-butyl]-dimethyl-tridecyl-ammonium CAS Name: [4-[dimethyl(tridecyl)ammonio]-2,3-dihydroxybutyl]-dimethyl-tridecylammonium IUPAC Name: [4-[dimethyl(tridecyl)azaniumyl]-2,3-dihydroxybutyl]-dimethyl-tridecylazanium Traditional Name: [4-[dimethyl(tridecyl)ammonio]-2,3-dihydroxy-butyl]-dimethyl-tridecyl-ammonium Formula: C34H74N2O2+2 MolecularWeight: 542.96356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC[N+](C)(C)CC(C(C[N+](C)(C)CCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCC[N+](C)(C)CC(C(C[N+](C)(C)CCCCCCCCCCCCC)O)O

InChI

InChI=1S/C34H74N2O2/c1-7-9-11-13-15-17-19-21-23-25-27-29-35(3,4)31-33(37)34(38)32-36(5,6)30-28-26-24-22-20-18-16-14-12-10-8-2/h33-34,37-38H,7-32H2,1-6H3/q+2