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

Systemtic Name: 2-[4-methoxy-3-methyl-2-[(propyldisulfanyl)methyl]pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole chloride Openeye Name: 2-[4-methoxy-3-methyl-2-[(propyldisulfanyl)methyl]pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole chloride CAS Name: 2-[4-methoxy-3-methyl-2-[(propyldisulfanyl)methyl]-1-pyridin-1-iumyl]-6-(trifluoromethyl)-1H-benzimidazole chloride IUPAC Name: 2-[4-methoxy-3-methyl-2-[(propyldisulfanyl)methyl]pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole chloride Traditional Name: 2-[4-methoxy-3-methyl-2-[(propyldisulfanyl)methyl]pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole chloride Formula: C19H21ClF3N3OS2 MolecularWeight: 463.96775

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Descriptors Computed from Structure

Canonical SMILES:

CCCSSCC1=[N+](C=CC(=C1C)OC)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F.[Cl-]

Isomeric SMILES

CCCSSCC1=[N+](C=CC(=C1C)OC)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F.[Cl-]

InChI

InChI=1S/C19H21F3N3OS2.ClH/c1-4-9-27-28-11-16-12(2)17(26-3)7-8-25(16)18-23-14-6-5-13(19(20,21)22)10-15(14)24-18;/h5-8,10H,4,9,11H2,1-3H3,(H,23,24);1H/q+1;/p-1