2-[2-hydroxyethyl(2-oxidanylpropyl)amino]ethyl-methyl-bis(2-octadecanoyloxypropyl)azanium

Systemtic Name: 2-[2-hydroxyethyl(2-oxidanylpropyl)amino]ethyl-methyl-bis(2-octadecanoyloxypropyl)azanium Openeye Name: 2-[2-hydroxyethyl(2-hydroxypropyl)amino]ethyl-methyl-bis(2-octadecanoyloxypropyl)ammonium CAS Name: 2-[2-hydroxyethyl(2-hydroxypropyl)amino]ethyl-methyl-bis[2-(1-oxooctadecoxy)propyl]ammonium IUPAC Name: 2-[2-hydroxyethyl(2-hydroxypropyl)amino]ethyl-methyl-bis(2-octadecanoyloxypropyl)azanium Traditional Name: 2-[2-hydroxyethyl(2-hydroxypropyl)amino]ethyl-methyl-bis(2-stearoyloxypropyl)ammonium Formula: C50H101N2O6+ MolecularWeight: 826.34674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C)C[N+](C)(CCN(CCO)CC(C)O)CC(C)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)C[N+](C)(CCN(CCO)CC(C)O)CC(C)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C50H101N2O6/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-49(55)57-47(4)44-52(6,41-39-51(40-42-53)43-46(3)54)45-48(5)58-50(56)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h46-48,53-54H,7-45H2,1-6H3/q+1