[5-(methoxymethyl)-2,4,6-trimethyl-pyridin-3-yl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [5-(methoxymethyl)-2,4,6-trimethyl-pyridin-3-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [5-(methoxymethyl)-2,4,6-trimethyl-3-pyridyl]methyl-triphenyl-phosphonium bromide CAS Name: [5-(methoxymethyl)-2,4,6-trimethyl-3-pyridinyl]methyl-triphenylphosphonium bromide IUPAC Name: [5-(methoxymethyl)-2,4,6-trimethylpyridin-3-yl]methyl-triphenylphosphanium bromide Traditional Name: [5-(methoxymethyl)-2,4,6-trimethyl-3-pyridyl]methyl-triphenyl-phosphonium bromide Formula: C29H31BrNOP MolecularWeight: 520.440301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)C)COC.[Br-]

Isomeric SMILES

CC1=C(C(=NC(=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)C)COC.[Br-]

InChI

InChI=1S/C29H31NOP.BrH/c1-22-28(20-31-4)23(2)30-24(3)29(22)21-32(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27;/h5-19H,20-21H2,1-4H3;1H/q+1;/p-1