2-(2-octadecylphenyl)propan-2-ylazanium sulfate

Systemtic Name: 2-(2-octadecylphenyl)propan-2-ylazanium sulfate Openeye Name: [1-methyl-1-(2-octadecylphenyl)ethyl]ammonium sulfate CAS Name: 2-(2-octadecylphenyl)propan-2-ylammonium sulfate IUPAC Name: 2-(2-octadecylphenyl)propan-2-ylazanium sulfate Traditional Name: [1-methyl-1-(2-stearylphenyl)ethyl]ammonium sulfate Formula: C27H50NO4S- MolecularWeight: 484.7552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C27H49N.H2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23-20-21-24-26(25)27(2,3)28;1-5(2,3)4/h20-21,23-24H,4-19,22,28H2,1-3H3;(H2,1,2,3,4)/p-1