[(3S,4R)-4-methyl-1-[(1S)-1-phenylethyl]-1-azonia-2-boranidacyclobut-3-yl]-triphenyl-phosphanium bromide

Systemtic Name: [(3S,4R)-4-methyl-1-[(1S)-1-phenylethyl]-1-azonia-2-boranidacyclobut-3-yl]-triphenyl-phosphanium bromide Openeye Name: [(3S,4R)-4-methyl-1-[(1S)-1-phenylethyl]-1-azonia-2-boranidacyclobut-3-yl]-triphenyl-phosphonium bromide CAS Name: [(3S,4R)-4-methyl-1-[(1S)-1-phenylethyl]-1-azonia-2-boranidacyclobut-3-yl]-triphenylphosphonium bromide IUPAC Name: [(3S,4R)-4-methyl-1-[(1S)-1-phenylethyl]-1-azonia-2-boranidacyclobut-3-yl]-triphenylphosphanium bromide Traditional Name: [(3S,4R)-4-methyl-1-[(1S)-1-phenylethyl]-1-azonia-2-boranidacyclobut-3-yl]-triphenyl-phosphonium bromide Formula: C29H30BBrNP MolecularWeight: 514.243961

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Descriptors Computed from Structure

Canonical SMILES:

[B-]1C(C([NH+]1C(C)C2=CC=CC=C2)C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

[B-]1[C@@H]([C@H]([NH+]1[C@@H](C)C2=CC=CC=C2)C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H30BNP.BrH/c1-23(25-15-7-3-8-16-25)31-24(2)29(30-31)32(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28;/h3-24,29,31H,1-2H3;1H/q+1;/p-1/t23-,24+,29+;/m0./s1