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

Systemtic Name: [1-(2-methylpropyl)-2-oxidanylidene-pyrrolidin-3-yl]-triphenyl-phosphanium bromide Openeye Name: (1-isobutyl-2-oxo-pyrrolidin-3-yl)-triphenyl-phosphonium bromide CAS Name: [1-(2-methylpropyl)-2-oxo-3-pyrrolidinyl]-triphenylphosphonium bromide IUPAC Name: [1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide Traditional Name: (1-isobutyl-2-keto-pyrrolidin-3-yl)-triphenyl-phosphonium bromide Formula: C26H29BrNOP MolecularWeight: 482.392321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC(C1=O)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC(C)CN1CCC(C1=O)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C26H29NOP.BrH/c1-21(2)20-27-19-18-25(26(27)28)29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24;/h3-17,21,25H,18-20H2,1-2H3;1H/q+1;/p-1