(2-methoxycarbonyl-4-phenyl-imidazol-2-yl)methyl-triphenyl-phosphanium bromide hydrochloride

Systemtic Name: (2-methoxycarbonyl-4-phenyl-imidazol-2-yl)methyl-triphenyl-phosphanium bromide hydrochloride Openeye Name: (2-methoxycarbonyl-4-phenyl-imidazol-2-yl)methyl-triphenyl-phosphonium bromide hydrochloride CAS Name: (2-methoxycarbonyl-4-phenyl-2-imidazolyl)methyl-triphenylphosphonium bromide hydrochloride IUPAC Name: (2-methoxycarbonyl-4-phenylimidazol-2-yl)methyl-triphenylphosphanium bromide hydrochloride Traditional Name: (2-carbomethoxy-4-phenyl-imidazol-2-yl)methyl-triphenyl-phosphonium bromide hydrochloride Formula: C30H27BrClN2O2P MolecularWeight: 593.878341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(N=CC(=N1)C2=CC=CC=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.Cl.[Br-]

Isomeric SMILES

COC(=O)C1(N=CC(=N1)C2=CC=CC=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.Cl.[Br-]

InChI

InChI=1S/C30H26N2O2P.BrH.ClH/c1-34-29(33)30(31-22-28(32-30)24-14-6-2-7-15-24)23-35(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27;;/h2-22H,23H2,1H3;2*1H/q+1;;/p-1