(1S,2S)-2-[3-(phenylmethyl)imidazol-3-ium-1-yl]cyclohexan-1-ol bromide

Systemtic Name: (1S,2S)-2-[3-(phenylmethyl)imidazol-3-ium-1-yl]cyclohexan-1-ol bromide Openeye Name: (1S,2S)-2-(3-benzylimidazol-3-ium-1-yl)cyclohexanol bromide CAS Name: (1S,2S)-2-[3-(phenylmethyl)-1-imidazol-3-iumyl]-1-cyclohexanol bromide IUPAC Name: (1S,2S)-2-(3-benzylimidazol-3-ium-1-yl)cyclohexan-1-ol bromide Traditional Name: (1S,2S)-2-(3-benzylimidazol-3-ium-1-yl)cyclohexanol bromide Formula: C16H21BrN2O MolecularWeight: 337.25474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N2C=C[N+](=C2)CC3=CC=CC=C3)O.[Br-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)N2C=C[N+](=C2)CC3=CC=CC=C3)O.[Br-]

InChI

InChI=1S/C16H21N2O.BrH/c19-16-9-5-4-8-15(16)18-11-10-17(13-18)12-14-6-2-1-3-7-14;/h1-3,6-7,10-11,13,15-16,19H,4-5,8-9,12H2;1H/q+1;/p-1/t15-,16-;/m0./s1