3-octadecyl-1,3-oxazol-3-ium chloride

Systemtic Name: 3-octadecyl-1,3-oxazol-3-ium chloride Openeye Name: 3-octadecyloxazol-3-ium chloride CAS Name: 3-octadecyloxazol-3-ium chloride IUPAC Name: 3-octadecyl-1,3-oxazol-3-ium chloride Traditional Name: 3-stearyloxazol-3-ium chloride Formula: C21H40ClNO MolecularWeight: 358.0014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=COC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=COC=C1.[Cl-]

InChI

InChI=1S/C21H40NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20-23-21-22;/h19-21H,2-18H2,1H3;1H/q+1;/p-1