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

Systemtic Name: (2S)-2-(3-ethylimidazol-3-ium-1-yl)propan-1-ol bromide Openeye Name: (2S)-2-(3-ethylimidazol-3-ium-1-yl)propan-1-ol bromide CAS Name: (2S)-2-(3-ethyl-1-imidazol-3-iumyl)-1-propanol bromide IUPAC Name: (2S)-2-(3-ethylimidazol-3-ium-1-yl)propan-1-ol bromide Traditional Name: (2S)-2-(3-ethylimidazol-3-ium-1-yl)propan-1-ol bromide Formula: C8H15BrN2O MolecularWeight: 235.1215

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H15N2O.BrH/c1-3-9-4-5-10(7-9)8(2)6-11;/h4-5,7-8,11H,3,6H2,1-2H3;1H/q+1;/p-1/t8-;/m0./s1