[2-oxidanylidene-1-[[1-prop-2-enoxycarbonyl-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]pyrrolidin-3-yl]-triphenyl-phosphanium bromide

Systemtic Name: [2-oxidanylidene-1-[[1-prop-2-enoxycarbonyl-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]pyrrolidin-3-yl]-triphenyl-phosphanium bromide Openeye Name: [1-[[1-allyloxycarbonyl-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]-2-oxo-pyrrolidin-3-yl]-triphenyl-phosphonium bromide CAS Name: [2-oxo-1-[[1-[oxo(prop-2-enoxy)methyl]-4-(trifluoromethyl)-3-pyrrolidinyl]methyl]-3-pyrrolidinyl]-triphenylphosphonium bromide IUPAC Name: [2-oxo-1-[[1-prop-2-enoxycarbonyl-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]pyrrolidin-3-yl]-triphenylphosphanium bromide Traditional Name: [1-[[1-allyloxycarbonyl-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]-2-keto-pyrrolidin-3-yl]-triphenyl-phosphonium bromide Formula: C32H33BrF3N2O3P MolecularWeight: 661.488991

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(C(C1)C(F)(F)F)CN2CCC(C2=O)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C=CCOC(=O)N1CC(C(C1)C(F)(F)F)CN2CCC(C2=O)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C32H33F3N2O3P.BrH/c1-2-20-40-31(39)37-22-24(28(23-37)32(33,34)35)21-36-19-18-29(30(36)38)41(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h2-17,24,28-29H,1,18-23H2;1H/q+1;/p-1