(2-azanyl-3,6-dimethoxy-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (2-azanyl-3,6-dimethoxy-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (2-amino-3,6-dimethoxy-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (2-amino-3,6-dimethoxyphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (2-amino-3,6-dimethoxyphenyl)methyl-triphenylphosphanium bromide Traditional Name: (2-amino-3,6-dimethoxy-benzyl)-triphenyl-phosphonium bromide Formula: C27H27BrNO2P MolecularWeight: 508.386541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)OC)N)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC1=C(C(=C(C=C1)OC)N)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H27NO2P.BrH/c1-29-25-18-19-26(30-2)27(28)24(25)20-31(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-19H,20,28H2,1-2H3;1H/q+1;/p-1