hexadecyl-[(2S,3R)-4-[hexadecyl(dimethyl)azaniumyl]-2,3-dimethoxy-butyl]-dimethyl-azanium

Systemtic Name: hexadecyl-[(2S,3R)-4-[hexadecyl(dimethyl)azaniumyl]-2,3-dimethoxy-butyl]-dimethyl-azanium Openeye Name: hexadecyl-[(2S,3R)-4-[hexadecyl(dimethyl)ammonio]-2,3-dimethoxy-butyl]-dimethyl-ammonium CAS Name: hexadecyl-[(2S,3R)-4-[hexadecyl(dimethyl)ammonio]-2,3-dimethoxybutyl]-dimethylammonium IUPAC Name: hexadecyl-[(2S,3R)-4-[hexadecyl(dimethyl)azaniumyl]-2,3-dimethoxybutyl]-dimethylazanium Traditional Name: cetyl-[(2S,3R)-4-[cetyl(dimethyl)ammonio]-2,3-dimethoxy-butyl]-dimethyl-ammonium Formula: C42H90N2O2+2 MolecularWeight: 655.1762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC(C(C[N+](C)(C)CCCCCCCCCCCCCCCC)OC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C[C@H]([C@H](C[N+](C)(C)CCCCCCCCCCCCCCCC)OC)OC

InChI

InChI=1S/C42H90N2O2/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43(3,4)39-41(45-7)42(46-8)40-44(5,6)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2/h41-42H,9-40H2,1-8H3/q+2/t41-,42+