(2-hexadecyl-1-phenyl-octadecyl)azanium chloride

Systemtic Name: (2-hexadecyl-1-phenyl-octadecyl)azanium chloride Openeye Name: (2-hexadecyl-1-phenyl-octadecyl)ammonium chloride CAS Name: (2-hexadecyl-1-phenyloctadecyl)ammonium chloride IUPAC Name: (2-hexadecyl-1-phenyloctadecyl)azanium chloride Traditional Name: (2-cetyl-1-phenyl-octadecyl)ammonium chloride Formula: C40H76ClN MolecularWeight: 606.49114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(C1=CC=CC=C1)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(C1=CC=CC=C1)[NH3+].[Cl-]

InChI

InChI=1S/C40H75N.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-34-38(40(41)39-36-32-29-33-37-39)35-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h29,32-33,36-38,40H,3-28,30-31,34-35,41H2,1-2H3;1H