[2-[4-[butyl(methyl)amino]phenyl]-2-oxidanylidene-ethyl]-diphenyl-sulfanium bromide

Systemtic Name: [2-[4-[butyl(methyl)amino]phenyl]-2-oxidanylidene-ethyl]-diphenyl-sulfanium bromide Openeye Name: [2-[4-[butyl(methyl)amino]phenyl]-2-oxo-ethyl]-diphenyl-sulfonium bromide CAS Name: [2-[4-[butyl(methyl)amino]phenyl]-2-oxoethyl]-diphenylsulfonium bromide IUPAC Name: [2-[4-[butyl(methyl)amino]phenyl]-2-oxoethyl]-diphenylsulfanium bromide Traditional Name: [2-[4-[butyl(methyl)amino]phenyl]-2-keto-ethyl]-diphenyl-sulfonium bromide Formula: C25H28BrNOS MolecularWeight: 470.46492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=CC=C(C=C1)C(=O)C[S+](C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCCN(C)C1=CC=C(C=C1)C(=O)C[S+](C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C25H28NOS.BrH/c1-3-4-19-26(2)22-17-15-21(16-18-22)25(27)20-28(23-11-7-5-8-12-23)24-13-9-6-10-14-24;/h5-18H,3-4,19-20H2,1-2H3;1H/q+1;/p-1