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

Systemtic Name: 2-[4-methoxy-3-methyl-2-[(propyldisulfanyl)methyl]pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Openeye Name: 2-[4-methoxy-3-methyl-2-[(propyldisulfanyl)methyl]pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole CAS Name: 2-[4-methoxy-3-methyl-2-[(propyldisulfanyl)methyl]-1-pyridin-1-iumyl]-6-(trifluoromethyl)-1H-benzimidazole IUPAC Name: 2-[4-methoxy-3-methyl-2-[(propyldisulfanyl)methyl]pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Traditional Name: 2-[4-methoxy-3-methyl-2-[(propyldisulfanyl)methyl]pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Formula: C19H21F3N3OS2+ MolecularWeight: 428.51475

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H21F3N3OS2/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)/q+1