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

Systemtic Name: (2-oxidanylidene-1-pyridin-3-yl-pyrrolidin-3-yl)-triphenyl-phosphanium bromide Openeye Name: [2-oxo-1-(3-pyridyl)pyrrolidin-3-yl]-triphenyl-phosphonium bromide CAS Name: [2-oxo-1-(3-pyridinyl)-3-pyrrolidinyl]-triphenylphosphonium bromide IUPAC Name: (2-oxo-1-pyridin-3-ylpyrrolidin-3-yl)-triphenylphosphanium bromide Traditional Name: [2-keto-1-(3-pyridyl)pyrrolidin-3-yl]-triphenyl-phosphonium bromide Formula: C27H24BrN2OP MolecularWeight: 503.370021

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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=CN=CC=C5.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2OP.BrH/c30-27-26(18-20-29(27)22-11-10-19-28-21-22)31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25;/h1-17,19,21,26H,18,20H2;1H/q+1;/p-1