2-(2-heptadecyl-1-phenethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol bromide

Systemtic Name: 2-(2-heptadecyl-1-phenethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol bromide Openeye Name: 2-(2-heptadecyl-1-phenethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol bromide CAS Name: 2-(2-heptadecyl-1-phenethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol bromide IUPAC Name: 2-(2-heptadecyl-1-phenethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol bromide Traditional Name: 2-(2-heptadecyl-1-phenethyl-2-imidazolin-1-ium-1-yl)ethanol bromide Formula: C30H53BrN2O MolecularWeight: 537.65862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCC2=CC=CC=C2)CCO.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCC2=CC=CC=C2)CCO.[Br-]

InChI

InChI=1S/C30H53N2O.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-30-31-24-26-32(30,27-28-33)25-23-29-20-17-16-18-21-29;/h16-18,20-21,33H,2-15,19,22-28H2,1H3;1H/q+1;/p-1