[1-(2,2-diphenyl-1,3-benzodioxol-5-yl)-2-oxidanylidene-pyrrolidin-3-yl]-triphenyl-phosphanium bromide

Systemtic Name: [1-(2,2-diphenyl-1,3-benzodioxol-5-yl)-2-oxidanylidene-pyrrolidin-3-yl]-triphenyl-phosphanium bromide Openeye Name: [1-(2,2-diphenyl-1,3-benzodioxol-5-yl)-2-oxo-pyrrolidin-3-yl]-triphenyl-phosphonium bromide CAS Name: [1-(2,2-diphenyl-1,3-benzodioxol-5-yl)-2-oxo-3-pyrrolidinyl]-triphenylphosphonium bromide IUPAC Name: [1-(2,2-diphenyl-1,3-benzodioxol-5-yl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide Traditional Name: [1-(2,2-diphenyl-1,3-benzodioxol-5-yl)-2-keto-pyrrolidin-3-yl]-triphenyl-phosphonium bromide Formula: C41H33BrNO3P MolecularWeight: 698.583381

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC6=C(C=C5)OC(O6)(C7=CC=CC=C7)C8=CC=CC=C8.[Br-]

Isomeric SMILES

C1CN(C(=O)C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC6=C(C=C5)OC(O6)(C7=CC=CC=C7)C8=CC=CC=C8.[Br-]

InChI

InChI=1S/C41H33NO3P.BrH/c43-40-39(46(34-20-10-3-11-21-34,35-22-12-4-13-23-35)36-24-14-5-15-25-36)28-29-42(40)33-26-27-37-38(30-33)45-41(44-37,31-16-6-1-7-17-31)32-18-8-2-9-19-32;/h1-27,30,39H,28-29H2;1H/q+1;/p-1