[1-(3-but-3-enoylthiophen-2-yl)-2-oxidanylidene-pyrrolidin-3-yl]-triphenyl-phosphanium bromide

Systemtic Name: [1-(3-but-3-enoylthiophen-2-yl)-2-oxidanylidene-pyrrolidin-3-yl]-triphenyl-phosphanium bromide Openeye Name: [1-(3-but-3-enoyl-2-thienyl)-2-oxo-pyrrolidin-3-yl]-triphenyl-phosphonium bromide CAS Name: [2-oxo-1-[3-(1-oxobut-3-enyl)-2-thiophenyl]-3-pyrrolidinyl]-triphenylphosphonium bromide IUPAC Name: [1-(3-but-3-enoylthiophen-2-yl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide Traditional Name: [1-(3-but-3-enoyl-2-thienyl)-2-keto-pyrrolidin-3-yl]-triphenyl-phosphonium bromide Formula: C30H27BrNO2PS MolecularWeight: 576.483641

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)C1=C(SC=C1)N2CCC(C2=O)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C=CCC(=O)C1=C(SC=C1)N2CCC(C2=O)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C30H27NO2PS.BrH/c1-2-12-27(32)26-20-22-35-30(26)31-21-19-28(29(31)33)34(23-13-6-3-7-14-23,24-15-8-4-9-16-24)25-17-10-5-11-18-25;/h2-11,13-18,20,22,28H,1,12,19,21H2;1H/q+1;/p-1