dimethyl-[(2S)-1-oxidanyl-1-phenyl-propan-2-yl]-(phenylmethyl)azanium bromide

Systemtic Name: dimethyl-[(2S)-1-oxidanyl-1-phenyl-propan-2-yl]-(phenylmethyl)azanium bromide Openeye Name: benzyl-[(1S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-dimethyl-ammonium bromide CAS Name: [(2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethyl-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-[(2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium bromide Traditional Name: benzyl-[(1S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-dimethyl-ammonium bromide Formula: C18H24BrNO MolecularWeight: 350.29326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[N+](C)(C)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

C[C@@H](C(C1=CC=CC=C1)O)[N+](C)(C)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C18H24NO.BrH/c1-15(18(20)17-12-8-5-9-13-17)19(2,3)14-16-10-6-4-7-11-16;/h4-13,15,18,20H,14H2,1-3H3;1H/q+1;/p-1/t15-,18?;/m0./s1