(5-cyano-1-methyl-indol-2-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (5-cyano-1-methyl-indol-2-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (5-cyano-1-methyl-indol-2-yl)methyl-triphenyl-phosphonium bromide CAS Name: (5-cyano-1-methyl-2-indolyl)methyl-triphenylphosphonium bromide IUPAC Name: (5-cyano-1-methylindol-2-yl)methyl-triphenylphosphanium bromide Traditional Name: (5-cyano-1-methyl-indol-2-yl)methyl-triphenyl-phosphonium bromide Formula: C29H24BrN2P MolecularWeight: 511.392021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C#N)C=C1C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)C#N)C=C1C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H24N2P.BrH/c1-31-25(20-24-19-23(21-30)17-18-29(24)31)22-32(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28;/h2-20H,22H2,1H3;1H/q+1;/p-1