dimethyl-bis(3-oxidanylideneicosyl)azanium chloride

Systemtic Name: dimethyl-bis(3-oxidanylideneicosyl)azanium chloride Openeye Name: dimethyl-bis(3-oxoicosyl)ammonium chloride CAS Name: dimethyl-bis(3-oxoeicosyl)ammonium chloride IUPAC Name: dimethyl-bis(3-oxoicosyl)azanium chloride Traditional Name: bis(3-ketoeicosyl)-dimethyl-ammonium chloride Formula: C42H84ClNO2 MolecularWeight: 670.57486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H84NO2.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(44)37-39-43(3,4)40-38-42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-40H2,1-4H3;1H/q+1;/p-1