1-methyl-3-[(2S)-2-phenylmethoxypropyl]imidazol-1-ium bromide

Systemtic Name: 1-methyl-3-[(2S)-2-phenylmethoxypropyl]imidazol-1-ium bromide Openeye Name: 1-[(2S)-2-benzyloxypropyl]-3-methyl-imidazol-3-ium bromide CAS Name: 1-methyl-3-[(2S)-2-phenylmethoxypropyl]imidazol-1-ium bromide IUPAC Name: 1-methyl-3-[(2S)-2-phenylmethoxypropyl]imidazol-1-ium bromide Traditional Name: 1-[(2S)-2-benzoxypropyl]-3-methyl-imidazol-3-ium bromide Formula: C14H19BrN2O MolecularWeight: 311.21746

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C[N+](=C1)C)OCC2=CC=CC=C2.[Br-]

Isomeric SMILES

C[C@@H](CN1C=C[N+](=C1)C)OCC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C14H19N2O.BrH/c1-13(10-16-9-8-15(2)12-16)17-11-14-6-4-3-5-7-14;/h3-9,12-13H,10-11H2,1-2H3;1H/q+1;/p-1/t13-;/m0./s1