1-dodecyl-2-phenyl-3-[(phenylmethylsulfanyl)methyl]imidazol-3-ium chloride

Systemtic Name: 1-dodecyl-2-phenyl-3-[(phenylmethylsulfanyl)methyl]imidazol-3-ium chloride Openeye Name: 1-(benzylsulfanylmethyl)-3-dodecyl-2-phenyl-imidazol-1-ium chloride CAS Name: 1-dodecyl-2-phenyl-3-[(phenylmethylthio)methyl]imidazol-3-ium chloride IUPAC Name: 1-(benzylsulfanylmethyl)-3-dodecyl-2-phenylimidazol-1-ium chloride Traditional Name: 1-[(benzylthio)methyl]-3-lauryl-2-phenyl-imidazol-1-ium chloride Formula: C29H41ClN2S MolecularWeight: 485.16724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C=C[N+](=C1C2=CC=CC=C2)CSCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCN1C=C[N+](=C1C2=CC=CC=C2)CSCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C29H41N2S.ClH/c1-2-3-4-5-6-7-8-9-10-17-22-30-23-24-31(29(30)28-20-15-12-16-21-28)26-32-25-27-18-13-11-14-19-27;/h11-16,18-21,23-24H,2-10,17,22,25-26H2,1H3;1H/q+1;/p-1