(2-ethoxycarbonyl-1,3-thiazol-4-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (2-ethoxycarbonyl-1,3-thiazol-4-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (2-ethoxycarbonylthiazol-4-yl)methyl-triphenyl-phosphonium bromide CAS Name: (2-ethoxycarbonyl-4-thiazolyl)methyl-triphenylphosphonium bromide IUPAC Name: (2-ethoxycarbonyl-1,3-thiazol-4-yl)methyl-triphenylphosphanium bromide Traditional Name: (2-carbethoxythiazol-4-yl)methyl-triphenyl-phosphonium bromide Formula: C25H23BrNO2PS MolecularWeight: 512.398381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CS1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCOC(=O)C1=NC(=CS1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H23NO2PS.BrH/c1-2-28-25(27)24-26-20(19-30-24)18-29(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-17,19H,2,18H2,1H3;1H/q+1;/p-1