2-[3,4-bis(chloranyl)-2-octadecyl-phenyl]propan-2-ylazanium chloride

Systemtic Name: 2-[3,4-bis(chloranyl)-2-octadecyl-phenyl]propan-2-ylazanium chloride Openeye Name: [1-(3,4-dichloro-2-octadecyl-phenyl)-1-methyl-ethyl]ammonium chloride CAS Name: 2-(3,4-dichloro-2-octadecylphenyl)propan-2-ylammonium chloride IUPAC Name: 2-(3,4-dichloro-2-octadecylphenyl)propan-2-ylazanium chloride Traditional Name: [1-(3,4-dichloro-2-stearyl-phenyl)-1-methyl-ethyl]ammonium chloride Formula: C27H48Cl3N MolecularWeight: 493.03572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1Cl)Cl)C(C)(C)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1Cl)Cl)C(C)(C)[NH3+].[Cl-]

InChI

InChI=1S/C27H47Cl2N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24(27(2,3)30)21-22-25(28)26(23)29;/h21-22H,4-20,30H2,1-3H3;1H