2-[2-[(hexyldisulfanyl)methyl]-4-methoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole

Systemtic Name: 2-[2-[(hexyldisulfanyl)methyl]-4-methoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Openeye Name: 2-[2-[(hexyldisulfanyl)methyl]-4-methoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole CAS Name: 2-[2-[(hexyldisulfanyl)methyl]-4-methoxy-3-methyl-1-pyridin-1-iumyl]-6-(trifluoromethyl)-1H-benzimidazole IUPAC Name: 2-[2-[(hexyldisulfanyl)methyl]-4-methoxy-3-methylpyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Traditional Name: 2-[2-[(hexyldisulfanyl)methyl]-4-methoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Formula: C22H27F3N3OS2+ MolecularWeight: 470.59449

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSSCC1=[N+](C=CC(=C1C)OC)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCCCCSSCC1=[N+](C=CC(=C1C)OC)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C22H27F3N3OS2/c1-4-5-6-7-12-30-31-14-19-15(2)20(29-3)10-11-28(19)21-26-17-9-8-16(22(23,24)25)13-18(17)27-21/h8-11,13H,4-7,12,14H2,1-3H3,(H,26,27)/q+1