(2-oxidanylidene-1-prop-2-enoxycarbonyl-1-pyrrolidin-3-yl-pyrrolidin-1-ium-3-yl)-triphenyl-phosphanium bromide

Systemtic Name: (2-oxidanylidene-1-prop-2-enoxycarbonyl-1-pyrrolidin-3-yl-pyrrolidin-1-ium-3-yl)-triphenyl-phosphanium bromide Openeye Name: (1-allyloxycarbonyl-2-oxo-1-pyrrolidin-3-yl-pyrrolidin-1-ium-3-yl)-triphenyl-phosphonium bromide CAS Name: [2-oxo-1-[oxo(prop-2-enoxy)methyl]-1-(3-pyrrolidinyl)-3-pyrrolidin-1-iumyl]-triphenylphosphonium bromide IUPAC Name: (2-oxo-1-prop-2-enoxycarbonyl-1-pyrrolidin-3-ylpyrrolidin-1-ium-3-yl)-triphenylphosphanium bromide Traditional Name: (1-allyloxycarbonyl-2-keto-1-pyrrolidin-3-yl-pyrrolidin-1-ium-3-yl)-triphenyl-phosphonium bromide Formula: C30H33BrN2O3P+ MolecularWeight: 580.472381

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)[N+]1(CCC(C1=O)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5CCNC5.[Br-]

Isomeric SMILES

C=CCOC(=O)[N+]1(CCC(C1=O)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5CCNC5.[Br-]

InChI

InChI=1S/C30H33N2O3P.BrH/c1-2-22-35-30(34)32(24-18-20-31-23-24)21-19-28(29(32)33)36(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h2-17,24,28,31H,1,18-23H2;1H/q+2;/p-1