[5-ethyl-2-oxidanylidene-6-(phenylmethoxymethyl)-1H-pyridin-3-yl]-triphenyl-phosphanium bromide

Systemtic Name: [5-ethyl-2-oxidanylidene-6-(phenylmethoxymethyl)-1H-pyridin-3-yl]-triphenyl-phosphanium bromide Openeye Name: [6-(benzyloxymethyl)-5-ethyl-2-oxo-1H-pyridin-3-yl]-triphenyl-phosphonium bromide CAS Name: [5-ethyl-2-oxo-6-(phenylmethoxymethyl)-1H-pyridin-3-yl]-triphenylphosphonium bromide IUPAC Name: [5-ethyl-2-oxo-6-(phenylmethoxymethyl)-1H-pyridin-3-yl]-triphenylphosphanium bromide Traditional Name: [6-(benzoxymethyl)-5-ethyl-2-keto-1H-pyridin-3-yl]-triphenyl-phosphonium bromide Formula: C33H31BrNO2P MolecularWeight: 584.482501

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=O)C(=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)COCC5=CC=CC=C5.[Br-]

Isomeric SMILES

CCC1=C(NC(=O)C(=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)COCC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C33H30NO2P.BrH/c1-2-27-23-32(33(35)34-31(27)25-36-24-26-15-7-3-8-16-26)37(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30;/h3-23H,2,24-25H2,1H3;1H