(2-oxidanylidene-1-pyrimidin-2-yl-pyrrolidin-3-yl)-triphenyl-phosphanium bromide

Systemtic Name: (2-oxidanylidene-1-pyrimidin-2-yl-pyrrolidin-3-yl)-triphenyl-phosphanium bromide Openeye Name: (2-oxo-1-pyrimidin-2-yl-pyrrolidin-3-yl)-triphenyl-phosphonium bromide CAS Name: [2-oxo-1-(2-pyrimidinyl)-3-pyrrolidinyl]-triphenylphosphonium bromide IUPAC Name: (2-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)-triphenylphosphanium bromide Traditional Name: [2-keto-1-(2-pyrimidyl)pyrrolidin-3-yl]-triphenyl-phosphonium bromide Formula: C26H23BrN3OP MolecularWeight: 504.358081

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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=NC=CC=N5.[Br-]

Isomeric SMILES

C1CN(C(=O)C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=NC=CC=N5.[Br-]

InChI

InChI=1S/C26H23N3OP.BrH/c30-25-24(17-20-29(25)26-27-18-10-19-28-26)31(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23;/h1-16,18-19,24H,17,20H2;1H/q+1;/p-1