2-octadecylisoquinolin-2-ium chloride

Systemtic Name: 2-octadecylisoquinolin-2-ium chloride Openeye Name: 2-octadecylisoquinolin-2-ium chloride CAS Name: 2-octadecylisoquinolin-2-ium chloride IUPAC Name: 2-octadecylisoquinolin-2-ium chloride Traditional Name: 2-stearylisoquinolin-2-ium chloride Formula: C27H44ClN MolecularWeight: 418.09796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Cl-]

InChI

InChI=1S/C27H44N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-28-24-22-26-20-17-18-21-27(26)25-28;/h17-18,20-22,24-25H,2-16,19,23H2,1H3;1H/q+1;/p-1