tri(octanoyl)-(phenylmethyl)azanium

Systemtic Name: tri(octanoyl)-(phenylmethyl)azanium Openeye Name: benzyl-tri(octanoyl)ammonium CAS Name: tris(1-oxooctyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-tri(octanoyl)azanium Traditional Name: benzyl(tricaprylyl)ammonium Formula: C31H52NO3+ MolecularWeight: 486.74948

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

Isomeric SMILES

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

InChI

InChI=1S/C31H52NO3/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/q+1