dimethyl-octadecyl-(1-phenylprop-2-enyl)azanium chloride

Systemtic Name: dimethyl-octadecyl-(1-phenylprop-2-enyl)azanium chloride Openeye Name: dimethyl-octadecyl-(1-phenylallyl)ammonium chloride CAS Name: dimethyl-octadecyl-(1-phenylprop-2-enyl)ammonium chloride IUPAC Name: dimethyl-octadecyl-(1-phenylprop-2-enyl)azanium chloride Traditional Name: dimethyl-(1-phenylallyl)-stearyl-ammonium chloride Formula: C29H52ClN MolecularWeight: 450.18288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)C(C=C)C1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)C(C=C)C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C29H52N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30(3,4)29(6-2)28-25-22-21-23-26-28;/h6,21-23,25-26,29H,2,5,7-20,24,27H2,1,3-4H3;1H/q+1;/p-1