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

Systemtic Name: 2-[2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-1-phenylethanone bromide IUPAC Name: 2-[2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[2-heptadecyl-1-(2-hydroxyethyl)-2-imidazolin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C30H51BrN2O2 MolecularWeight: 551.64214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C30H51N2O2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-30-31-23-24-32(30,25-26-33)27-29(34)28-20-17-16-18-21-28;/h16-18,20-21,33H,2-15,19,22-27H2,1H3;1H/q+1;/p-1