2-(2-ethoxycarbonylpyrrolidin-1-yl)ethyl-triphenyl-phosphanium bromide

Systemtic Name: 2-(2-ethoxycarbonylpyrrolidin-1-yl)ethyl-triphenyl-phosphanium bromide Openeye Name: 2-(2-ethoxycarbonylpyrrolidin-1-yl)ethyl-triphenyl-phosphonium bromide CAS Name: 2-(2-ethoxycarbonyl-1-pyrrolidinyl)ethyl-triphenylphosphonium bromide IUPAC Name: 2-(2-ethoxycarbonylpyrrolidin-1-yl)ethyl-triphenylphosphanium bromide Traditional Name: 2-(2-carbethoxypyrrolidino)ethyl-triphenyl-phosphonium bromide Formula: C27H31BrNO2P MolecularWeight: 512.418301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN1CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCOC(=O)C1CCCN1CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H31NO2P.BrH/c1-2-30-27(29)26-19-12-20-28(26)21-22-31(23-13-6-3-7-14-23,24-15-8-4-9-16-24)25-17-10-5-11-18-25;/h3-11,13-18,26H,2,12,19-22H2,1H3;1H/q+1;/p-1