2-(2-icosanoylphenyl)propan-2-ylazanium chloride

Systemtic Name: 2-(2-icosanoylphenyl)propan-2-ylazanium chloride Openeye Name: [1-(2-icosanoylphenyl)-1-methyl-ethyl]ammonium chloride CAS Name: 2-[2-(1-oxoeicosyl)phenyl]propan-2-ylammonium chloride IUPAC Name: 2-(2-icosanoylphenyl)propan-2-ylazanium chloride Traditional Name: [1-(2-eicosanoylphenyl)-1-methyl-ethyl]ammonium chloride Formula: C29H52ClNO MolecularWeight: 466.18228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1C(C)(C)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1C(C)(C)[NH3+].[Cl-]

InChI

InChI=1S/C29H51NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28(31)26-23-21-22-24-27(26)29(2,3)30;/h21-24H,4-20,25,30H2,1-3H3;1H