(2S)-2-(3-ethylimidazol-3-ium-1-yl)-4-methyl-pentan-1-ol bromide

Systemtic Name: (2S)-2-(3-ethylimidazol-3-ium-1-yl)-4-methyl-pentan-1-ol bromide Openeye Name: (2S)-2-(3-ethylimidazol-3-ium-1-yl)-4-methyl-pentan-1-ol bromide CAS Name: (2S)-2-(3-ethyl-1-imidazol-3-iumyl)-4-methyl-1-pentanol bromide IUPAC Name: (2S)-2-(3-ethylimidazol-3-ium-1-yl)-4-methylpentan-1-ol bromide Traditional Name: (2S)-2-(3-ethylimidazol-3-ium-1-yl)-4-methyl-pentan-1-ol bromide Formula: C11H21BrN2O MolecularWeight: 277.20124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CN(C=C1)C(CC(C)C)CO.[Br-]

Isomeric SMILES

CC[N+]1=CN(C=C1)[C@@H](CC(C)C)CO.[Br-]

InChI

InChI=1S/C11H21N2O.BrH/c1-4-12-5-6-13(9-12)11(8-14)7-10(2)3;/h5-6,9-11,14H,4,7-8H2,1-3H3;1H/q+1;/p-1/t11-;/m0./s1