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

Systemtic Name: 1-(dodecylsulfanylmethyl)-3-ethyl-2-phenyl-imidazol-1-ium Openeye Name: 1-(dodecylsulfanylmethyl)-3-ethyl-2-phenyl-imidazol-1-ium CAS Name: 1-[(dodecylthio)methyl]-3-ethyl-2-phenylimidazol-1-ium IUPAC Name: 1-(dodecylsulfanylmethyl)-3-ethyl-2-phenylimidazol-1-ium Traditional Name: 1-ethyl-3-[(laurylthio)methyl]-2-phenyl-imidazol-3-ium Formula: C24H39N2S+ MolecularWeight: 387.64486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39N2S/c1-3-5-6-7-8-9-10-11-12-16-21-27-22-26-20-19-25(4-2)24(26)23-17-14-13-15-18-23/h13-15,17-20H,3-12,16,21-22H2,1-2H3/q+1