[2-oxidanylidene-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-triphenyl-phosphanium bromide

Systemtic Name: [2-oxidanylidene-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-triphenyl-phosphanium bromide Openeye Name: [2-oxo-1-(2-thienylmethyl)pyrrolidin-3-yl]-triphenyl-phosphonium bromide CAS Name: [2-oxo-1-(thiophen-2-ylmethyl)-3-pyrrolidinyl]-triphenylphosphonium bromide IUPAC Name: [2-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-triphenylphosphanium bromide Traditional Name: [2-keto-1-(2-thenyl)pyrrolidin-3-yl]-triphenyl-phosphonium bromide Formula: C27H25BrNOPS MolecularWeight: 522.436261

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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)CC5=CC=CS5.[Br-]

Isomeric SMILES

C1CN(C(=O)C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CS5.[Br-]

InChI

InChI=1S/C27H25NOPS.BrH/c29-27-26(18-19-28(27)21-25-17-10-20-31-25)30(22-11-4-1-5-12-22,23-13-6-2-7-14-23)24-15-8-3-9-16-24;/h1-17,20,26H,18-19,21H2;1H/q+1;/p-1