3-(1-oxidanidyl-2-tridecyl-4,5-dihydroimidazol-1-ium-1-yl)-4-oxidanyl-butan-2-one

Systemtic Name: 3-(1-oxidanidyl-2-tridecyl-4,5-dihydroimidazol-1-ium-1-yl)-4-oxidanyl-butan-2-one Openeye Name: 4-hydroxy-3-(1-oxido-2-tridecyl-4,5-dihydroimidazol-1-ium-1-yl)butan-2-one CAS Name: 4-hydroxy-3-(1-oxido-2-tridecyl-4,5-dihydroimidazol-1-ium-1-yl)-2-butanone IUPAC Name: 4-hydroxy-3-(1-oxido-2-tridecyl-4,5-dihydroimidazol-1-ium-1-yl)butan-2-one Traditional Name: 4-hydroxy-3-(1-oxido-2-tridecyl-2-imidazolin-1-ium-1-yl)butan-2-one Formula: C20H38N2O3 MolecularWeight: 354.52732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NCC[N+]1(C(CO)C(=O)C)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC1=NCC[N+]1(C(CO)C(=O)C)[O-]

InChI

InChI=1S/C20H38N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-21-15-16-22(20,25)19(17-23)18(2)24/h19,23H,3-17H2,1-2H3