1-dodecyl-3-(hexadecylsulfanylmethyl)-2-phenyl-imidazol-3-ium chloride

Systemtic Name: 1-dodecyl-3-(hexadecylsulfanylmethyl)-2-phenyl-imidazol-3-ium chloride Openeye Name: 1-dodecyl-3-(hexadecylsulfanylmethyl)-2-phenyl-imidazol-3-ium chloride CAS Name: 1-dodecyl-3-[(hexadecylthio)methyl]-2-phenylimidazol-3-ium chloride IUPAC Name: 1-dodecyl-3-(hexadecylsulfanylmethyl)-2-phenylimidazol-3-ium chloride Traditional Name: 1-[(cetylthio)methyl]-3-lauryl-2-phenyl-imidazol-1-ium chloride Formula: C38H67ClN2S MolecularWeight: 619.46998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H67N2S.ClH/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-29-35-41-36-40-34-33-39(38(40)37-30-26-25-27-31-37)32-28-23-21-19-14-12-10-8-6-4-2;/h25-27,30-31,33-34H,3-24,28-29,32,35-36H2,1-2H3;1H/q+1;/p-1