dodecyl(trimethyl)azanium; (9E,12E,15E)-octadeca-9,12,15-trienoate

Systemtic Name: dodecyl(trimethyl)azanium; (9E,12E,15E)-octadeca-9,12,15-trienoate Openeye Name: dodecyl(trimethyl)ammonium; (9E,12E,15E)-octadeca-9,12,15-trienoate CAS Name: dodecyl(trimethyl)ammonium; (9E,12E,15E)-octadeca-9,12,15-trienoate IUPAC Name: dodecyl(trimethyl)azanium; (9E,12E,15E)-octadeca-9,12,15-trienoate Traditional Name: lauryl(trimethyl)ammonium; (9E,12E,15E)-octadeca-9,12,15-trienoate Formula: C33H63NO2 MolecularWeight: 505.85882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)C.CCC=CCC=CCC=CCCCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)C.CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)[O-]

InChI

InChI=1S/C18H30O2.C15H34N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);5-15H2,1-4H3/q;+1/p-1/b4-3+,7-6+,10-9+;