5-octadecyl-1-oxidanylidene-1,2,3-triazolidin-1-ium-4-one

Systemtic Name: 5-octadecyl-1-oxidanylidene-1,2,3-triazolidin-1-ium-4-one Openeye Name: 5-octadecyl-1-oxo-triazolidin-1-ium-4-one CAS Name: 5-octadecyl-1-oxo-4-triazolidin-1-iumone IUPAC Name: 5-octadecyl-1-oxotriazolidin-1-ium-4-one Traditional Name: 1-keto-5-stearyl-triazolidin-1-ium-4-one Formula: C20H40N3O2+ MolecularWeight: 354.5505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1C(=O)NN[N+]1=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1C(=O)NN[N+]1=O

InChI

InChI=1S/C20H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(24)21-22-23(19)25/h19H,2-18H2,1H3,(H-,21,22,24,25)/p+1