1-ethyl-3-(phenylmethyl)-2-phenylsulfanyl-imidazol-3-ium bromide

Systemtic Name: 1-ethyl-3-(phenylmethyl)-2-phenylsulfanyl-imidazol-3-ium bromide Openeye Name: 1-benzyl-3-ethyl-2-phenylsulfanyl-imidazol-1-ium bromide CAS Name: 1-ethyl-3-(phenylmethyl)-2-(phenylthio)imidazol-3-ium bromide IUPAC Name: 1-benzyl-3-ethyl-2-phenylsulfanylimidazol-1-ium bromide Traditional Name: 1-benzyl-3-ethyl-2-(phenylthio)imidazol-1-ium bromide Formula: C18H19BrN2S MolecularWeight: 375.32586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C[N+](=C1SC2=CC=CC=C2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CCN1C=C[N+](=C1SC2=CC=CC=C2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H19N2S.BrH/c1-2-19-13-14-20(15-16-9-5-3-6-10-16)18(19)21-17-11-7-4-8-12-17;/h3-14H,2,15H2,1H3;1H/q+1;/p-1