(1-methoxycarbonylindol-2-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (1-methoxycarbonylindol-2-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (1-methoxycarbonylindol-2-yl)methyl-triphenyl-phosphonium bromide CAS Name: (1-methoxycarbonyl-2-indolyl)methyl-triphenylphosphonium bromide IUPAC Name: (1-methoxycarbonylindol-2-yl)methyl-triphenylphosphanium bromide Traditional Name: (1-carbomethoxyindol-2-yl)methyl-triphenyl-phosphonium bromide Formula: C29H25BrNO2P MolecularWeight: 530.392061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C2=CC=CC=C2C=C1C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

COC(=O)N1C2=CC=CC=C2C=C1C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H25NO2P.BrH/c1-32-29(31)30-24(21-23-13-11-12-20-28(23)30)22-33(25-14-5-2-6-15-25,26-16-7-3-8-17-26)27-18-9-4-10-19-27;/h2-21H,22H2,1H3;1H/q+1;/p-1