dimethyl-bis(1-octadecanoyloxyethyl)azanium chloride

Systemtic Name: dimethyl-bis(1-octadecanoyloxyethyl)azanium chloride Openeye Name: dimethyl-bis(1-octadecanoyloxyethyl)ammonium chloride CAS Name: dimethyl-bis[1-(1-oxooctadecoxy)ethyl]ammonium chloride IUPAC Name: dimethyl-bis(1-octadecanoyloxyethyl)azanium chloride Traditional Name: dimethyl-bis(1-stearoyloxyethyl)ammonium chloride Formula: C42H84ClNO4 MolecularWeight: 702.57366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C)[N+](C)(C)C(C)OC(=O)CCCCCCCCCCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)[N+](C)(C)C(C)OC(=O)CCCCCCCCCCCCCCCCC.[Cl-]

InChI

InChI=1S/C42H84NO4.ClH/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(44)46-39(3)43(5,6)40(4)47-42(45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;/h39-40H,7-38H2,1-6H3;1H/q+1;/p-1