dimethyl-octyl-(10-phenoxycarbonyldodecyl)azanium chloride

Systemtic Name: dimethyl-octyl-(10-phenoxycarbonyldodecyl)azanium chloride Openeye Name: dimethyl-octyl-(10-phenoxycarbonyldodecyl)ammonium chloride CAS Name: dimethyl-octyl-[10-[oxo(phenoxy)methyl]dodecyl]ammonium chloride IUPAC Name: dimethyl-octyl-(10-phenoxycarbonyldodecyl)azanium chloride Traditional Name: 10-carbophenoxydodecyl-dimethyl-octyl-ammonium chloride Formula: C29H52ClNO2 MolecularWeight: 482.18168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)CCCCCCCCCC(CC)C(=O)OC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCC[N+](C)(C)CCCCCCCCCC(CC)C(=O)OC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C29H52NO2.ClH/c1-5-7-8-9-14-20-25-30(3,4)26-21-15-12-10-11-13-17-22-27(6-2)29(31)32-28-23-18-16-19-24-28;/h16,18-19,23-24,27H,5-15,17,20-22,25-26H2,1-4H3;1H/q+1;/p-1