2-(3-octadecoxypropoxy)-1-pentyl-pyridin-1-ium chloride

Systemtic Name: 2-(3-octadecoxypropoxy)-1-pentyl-pyridin-1-ium chloride Openeye Name: 2-(3-octadecoxypropoxy)-1-pentyl-pyridin-1-ium chloride CAS Name: 2-(3-octadecoxypropoxy)-1-pentylpyridin-1-ium chloride IUPAC Name: 2-(3-octadecoxypropoxy)-1-pentylpyridin-1-ium chloride Traditional Name: 1-amyl-2-(3-stearyloxypropoxy)pyridin-1-ium chloride Formula: C31H58ClNO2 MolecularWeight: 512.25072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCCOC1=CC=CC=[N+]1CCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCCOC1=CC=CC=[N+]1CCCCC.[Cl-]

InChI

InChI=1S/C31H58NO2.ClH/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-33-29-24-30-34-31-25-20-22-27-32(31)26-21-6-4-2;/h20,22,25,27H,3-19,21,23-24,26,28-30H2,1-2H3;1H/q+1;/p-1