(4,6-dimethyl-5-oxidanyl-pyridin-3-yl)methyl-triphenyl-phosphanium bromide hydrobromide

Systemtic Name: (4,6-dimethyl-5-oxidanyl-pyridin-3-yl)methyl-triphenyl-phosphanium bromide hydrobromide Openeye Name: (5-hydroxy-4,6-dimethyl-3-pyridyl)methyl-triphenyl-phosphonium bromide hydrobromide CAS Name: (5-hydroxy-4,6-dimethyl-3-pyridinyl)methyl-triphenylphosphonium bromide hydrobromide IUPAC Name: (5-hydroxy-4,6-dimethylpyridin-3-yl)methyl-triphenylphosphanium bromide hydrobromide Traditional Name: (5-hydroxy-4,6-dimethyl-3-pyridyl)methyl-triphenyl-phosphonium bromide hydrobromide Formula: C26H26Br2NOP MolecularWeight: 559.272501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)O.Br.[Br-]

Isomeric SMILES

CC1=C(C(=NC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)O.Br.[Br-]

InChI

InChI=1S/C26H24NOP.2BrH/c1-20-22(18-27-21(2)26(20)28)19-29(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25;;/h3-18H,19H2,1-2H3;2*1H