1-ethyl-3-(octylsulfanylmethyl)-2-phenyl-imidazol-3-ium chloride

Systemtic Name: 1-ethyl-3-(octylsulfanylmethyl)-2-phenyl-imidazol-3-ium chloride Openeye Name: 1-ethyl-3-(octylsulfanylmethyl)-2-phenyl-imidazol-3-ium chloride CAS Name: 1-ethyl-3-[(octylthio)methyl]-2-phenylimidazol-3-ium chloride IUPAC Name: 1-ethyl-3-(octylsulfanylmethyl)-2-phenylimidazol-3-ium chloride Traditional Name: 1-ethyl-3-[(octylthio)methyl]-2-phenyl-imidazol-3-ium chloride Formula: C20H31ClN2S MolecularWeight: 366.99154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC[N+]1=C(N(C=C1)CC)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCSC[N+]1=C(N(C=C1)CC)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C20H31N2S.ClH/c1-3-5-6-7-8-12-17-23-18-22-16-15-21(4-2)20(22)19-13-10-9-11-14-19;/h9-11,13-16H,3-8,12,17-18H2,1-2H3;1H/q+1;/p-1