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

Systemtic Name: (6-cyano-1-methyl-indol-2-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (6-cyano-1-methyl-indol-2-yl)methyl-triphenyl-phosphonium bromide CAS Name: (6-cyano-1-methyl-2-indolyl)methyl-triphenylphosphonium bromide IUPAC Name: (6-cyano-1-methylindol-2-yl)methyl-triphenylphosphanium bromide Traditional Name: (6-cyano-1-methyl-indol-2-yl)methyl-triphenyl-phosphonium bromide Formula: C29H24BrN2P MolecularWeight: 511.392021

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C=C(C=C2)C#N)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CN1C(=CC2=C1C=C(C=C2)C#N)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H24N2P.BrH/c1-31-25(20-24-18-17-23(21-30)19-29(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