2-[1-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydroimidazol-1-ium-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[1-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydroimidazol-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[1-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydroimidazol-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[1-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydroimidazol-1-ium-1-yl]-1-phenylethanone bromide IUPAC Name: 2-[1-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydroimidazol-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[1-(2-hydroxyethyl)-2-pentadecyl-2-imidazolin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C28H47BrN2O2 MolecularWeight: 523.58898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C28H47N2O2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28-29-21-22-30(28,23-24-31)25-27(32)26-18-15-14-16-19-26;/h14-16,18-19,31H,2-13,17,20-25H2,1H3;1H/q+1;/p-1