2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]ethanamine chloride

Systemtic Name: 2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]ethanamine chloride Openeye Name: 2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]ethanamine chloride CAS Name: 2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridin-1-iumyl]methyldisulfanyl]ethanamine chloride IUPAC Name: 2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]ethanamine chloride Traditional Name: 2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]ethylamine chloride Formula: C18H20ClF3N4OS2 MolecularWeight: 464.95581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[N+](=C1CSSCCN)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)OC.[Cl-]

Isomeric SMILES

CC1=C(C=C[N+](=C1CSSCCN)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)OC.[Cl-]

InChI

InChI=1S/C18H20F3N4OS2.ClH/c1-11-15(10-28-27-8-6-22)25(7-5-16(11)26-2)17-23-13-4-3-12(18(19,20)21)9-14(13)24-17;/h3-5,7,9H,6,8,10,22H2,1-2H3,(H,23,24);1H/q+1;/p-1