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

Systemtic Name: (2S)-2-(3-ethylimidazol-3-ium-1-yl)-3-methyl-butan-1-ol bromide Openeye Name: (2S)-2-(3-ethylimidazol-3-ium-1-yl)-3-methyl-butan-1-ol bromide CAS Name: (2S)-2-(3-ethyl-1-imidazol-3-iumyl)-3-methyl-1-butanol bromide IUPAC Name: (2S)-2-(3-ethylimidazol-3-ium-1-yl)-3-methylbutan-1-ol bromide Traditional Name: (2S)-2-(3-ethylimidazol-3-ium-1-yl)-3-methyl-butan-1-ol bromide Formula: C10H19BrN2O MolecularWeight: 263.17466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H19N2O.BrH/c1-4-11-5-6-12(8-11)10(7-13)9(2)3;/h5-6,8-10,13H,4,7H2,1-3H3;1H/q+1;/p-1/t10-;/m1./s1