[4-[di(propan-2-yl)carbamoyl]phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [4-[di(propan-2-yl)carbamoyl]phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [4-(diisopropylcarbamoyl)phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [4-[[di(propan-2-yl)amino]-oxomethyl]phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-[di(propan-2-yl)carbamoyl]phenyl]methyl-triphenylphosphanium bromide Traditional Name: [4-(diisopropylcarbamoyl)benzyl]-triphenyl-phosphonium bromide Formula: C32H35BrNOP MolecularWeight: 560.504161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H35NOP.BrH/c1-25(2)33(26(3)4)32(34)28-22-20-27(21-23-28)24-35(29-14-8-5-9-15-29,30-16-10-6-11-17-30)31-18-12-7-13-19-31;/h5-23,25-26H,24H2,1-4H3;1H/q+1;/p-1