tri(octanoyl)-(phenylmethyl)azanium chloride

Systemtic Name: tri(octanoyl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-tri(octanoyl)ammonium chloride CAS Name: tris(1-oxooctyl)-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-tri(octanoyl)azanium chloride Traditional Name: benzyl(tricaprylyl)ammonium chloride Formula: C31H52ClNO3 MolecularWeight: 522.20248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)[N+](CC1=CC=CC=C1)(C(=O)CCCCCCC)C(=O)CCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCC(=O)[N+](CC1=CC=CC=C1)(C(=O)CCCCCCC)C(=O)CCCCCCC.[Cl-]

InChI

InChI=1S/C31H52NO3.ClH/c1-4-7-10-13-19-24-29(33)32(27-28-22-17-16-18-23-28,30(34)25-20-14-11-8-5-2)31(35)26-21-15-12-9-6-3;/h16-18,22-23H,4-15,19-21,24-27H2,1-3H3;1H/q+1;/p-1