(9E,12E,15E)-octadeca-9,12,15-trienoate; piperidin-1-ium

Systemtic Name: (9E,12E,15E)-octadeca-9,12,15-trienoate; piperidin-1-ium Openeye Name: (9E,12E,15E)-octadeca-9,12,15-trienoate; piperidin-1-ium CAS Name: (9E,12E,15E)-octadeca-9,12,15-trienoate; piperidin-1-ium IUPAC Name: (9E,12E,15E)-octadeca-9,12,15-trienoate; piperidin-1-ium Traditional Name: (9E,12E,15E)-octadeca-9,12,15-trienoate; piperidin-1-ium Formula: C23H41NO2 MolecularWeight: 363.57714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC=CCCCCCCCC(=O)[O-].C1CC[NH2+]CC1

Isomeric SMILES

CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)[O-].C1CC[NH2+]CC1

InChI

InChI=1S/C18H30O2.C5H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-4-6-5-3-1/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);6H,1-5H2/b4-3+,7-6+,10-9+;