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

Systemtic Name: [1-(2-chloroethyl)-6-cyano-indol-2-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [1-(2-chloroethyl)-6-cyano-indol-2-yl]methyl-triphenyl-phosphonium bromide CAS Name: [1-(2-chloroethyl)-6-cyano-2-indolyl]methyl-triphenylphosphonium bromide IUPAC Name: [1-(2-chloroethyl)-6-cyanoindol-2-yl]methyl-triphenylphosphanium bromide Traditional Name: [1-(2-chloroethyl)-6-cyano-indol-2-yl]methyl-triphenyl-phosphonium bromide Formula: C30H25BrClN2P MolecularWeight: 559.863661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CC3=C(N2CCCl)C=C(C=C3)C#N)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CC3=C(N2CCCl)C=C(C=C3)C#N)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C30H25ClN2P.BrH/c31-18-19-33-26(21-25-17-16-24(22-32)20-30(25)33)23-34(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29;/h1-17,20-21H,18-19,23H2;1H/q+1;/p-1