1-(decylsulfanylmethyl)-3-ethyl-2-phenyl-imidazol-1-ium

Systemtic Name: 1-(decylsulfanylmethyl)-3-ethyl-2-phenyl-imidazol-1-ium Openeye Name: 1-(decylsulfanylmethyl)-3-ethyl-2-phenyl-imidazol-1-ium CAS Name: 1-[(decylthio)methyl]-3-ethyl-2-phenylimidazol-1-ium IUPAC Name: 1-(decylsulfanylmethyl)-3-ethyl-2-phenylimidazol-1-ium Traditional Name: 1-[(decylthio)methyl]-3-ethyl-2-phenyl-imidazol-1-ium Formula: C22H35N2S+ MolecularWeight: 359.5917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC[N+]1=C(N(C=C1)CC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCSC[N+]1=C(N(C=C1)CC)C2=CC=CC=C2

InChI

InChI=1S/C22H35N2S/c1-3-5-6-7-8-9-10-14-19-25-20-24-18-17-23(4-2)22(24)21-15-12-11-13-16-21/h11-13,15-18H,3-10,14,19-20H2,1-2H3/q+1