3-[(5-chloranyl-2-phenylsulfanyl-phenyl)amino]propyl-(diphenylmethyl)-dimethyl-azanium bromide

Systemtic Name: 3-[(5-chloranyl-2-phenylsulfanyl-phenyl)amino]propyl-(diphenylmethyl)-dimethyl-azanium bromide Openeye Name: benzhydryl-[3-(5-chloro-2-phenylsulfanyl-anilino)propyl]-dimethyl-ammonium bromide CAS Name: 3-[5-chloro-2-(phenylthio)anilino]propyl-(diphenylmethyl)-dimethylammonium bromide IUPAC Name: benzhydryl-[3-(5-chloro-2-phenylsulfanylanilino)propyl]-dimethylazanium bromide Traditional Name: benzhydryl-[3-[5-chloro-2-(phenylthio)anilino]propyl]-dimethyl-ammonium bromide Formula: C30H32BrClN2S MolecularWeight: 568.01048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCNC1=C(C=CC(=C1)Cl)SC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+](C)(CCCNC1=C(C=CC(=C1)Cl)SC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C30H32ClN2S.BrH/c1-33(2,30(24-13-6-3-7-14-24)25-15-8-4-9-16-25)22-12-21-32-28-23-26(31)19-20-29(28)34-27-17-10-5-11-18-27;/h3-11,13-20,23,30,32H,12,21-22H2,1-2H3;1H/q+1;/p-1