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

Systemtic Name: diethyl 2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]butanedioate chloride Openeye Name: diethyl 2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]butanedioate chloride CAS Name: 2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridin-1-iumyl]methyldisulfanyl]butanedioic acid diethyl ester chloride IUPAC Name: diethyl 2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]butanedioate chloride Traditional Name: 2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]succinic acid diethyl ester chloride Formula: C24H27ClF3N3O5S2 MolecularWeight: 594.06649

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=O)OCC)SSCC1=[N+](C=CC(=C1C)OC)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F.[Cl-]

Isomeric SMILES

CCOC(=O)CC(C(=O)OCC)SSCC1=[N+](C=CC(=C1C)OC)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F.[Cl-]

InChI

InChI=1S/C24H27F3N3O5S2.ClH/c1-5-34-21(31)12-20(22(32)35-6-2)37-36-13-18-14(3)19(33-4)9-10-30(18)23-28-16-8-7-15(24(25,26)27)11-17(16)29-23;/h7-11,20H,5-6,12-13H2,1-4H3,(H,28,29);1H/q+1;/p-1